苯并[j]荧蒽 | 205-82-3

• 物质功能分类: 分析化学 - 标准品 - 化妆品标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 苯并[j]荧蒽
• 中文别名: 苯并荧蒽
• 英文名称: Benzo[j]fluoranthene
• 英文别名: Benzofluoranthene；Benzofluoroanthen；Benzo(j)fluoranthene；benzo(k)fluoranthene；benzo[f]fluoranthene；benzo[k]fluoranthene；7,8-Benzfluoranthene；pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene
• CAS: 205-82-3
• 化学式: C₂₀H₁₂
• 分子量: 252.315
• InChiKey: KHNYNFUTFKJLDD-UHFFFAOYSA-N

物化性质

• 熔点：
  166°C
• 沸点：
  330.49°C (rough estimate)
• 密度：
  1.1549 (estimate)
• 溶解度：
  可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许）
• 物理描述：
  Benzo(j)fluoranthene appears as yellow crystals. Insoluble in water.
• 颜色/状态：
  Yellow plates from alcohol, needles from acetic acid
• 蒸汽压力：
  2.7X10-8 mm Hg at 25 °C (est)
• 分解：
  When heated to decomposition it emits acrid smoke and irritating fumes.
• 保留指数：
  2711;2725;2756;2704;2736.5;440.9;443
• 稳定性/保质期：
  - 存在于主流烟气中。 - IARC致癌性评估显示，证据充分且具有引发活性。

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

代谢

9,10-二氢二醇已被检测为在大鼠肝脏制剂中作为苯并(j)荧蒽的代谢物。

The 9,10-dihydrodiol has been detected as a metabolite of benzo(j)fluoranthene in rat liver preparations.

来源:Hazardous Substances Data Bank (HSDB)

代谢

使用Aroclor预处理的大鼠9000体外形成的苯并(j)芴的代谢物已经确定。通过将它们的光谱和色谱性质与纯合成标准进行比较，确定了两种二氢二醇，即trans-4,5-二羟基苯并(j)芴和trans-9,10-二氢-9,10-二羟基苯并(j)芴作为主要代谢物。没有证据表明在这些条件下形成了任何异构的2,3-二氢二醇作为苯并(j)芴的代谢物。苯并(j)芴的两种代谢二氢二醇的形成并未表现出高度的立体选择性。4,5-二氢二醇的对映体纯度为20%，而9,10-二氢二醇的对映体纯度为46%。在苯并(j)芴的代谢物中至少检测到四种酚，根据它们的UV光谱和HPLC保留时间与合成参考标准的比较，这些酚被鉴定为3-、4-、6-和10-羟基苯并(j)芴。在这些培养条件下，苯并(j)芴-4,5-二酮也被确定为一种代谢物。

The metabolites of benzo(j)fluoranthene (BjF) as formed in vitro using the 9000 from Aroclor-pretreated rats have been identified. Two dihydrodiols, trans-4,5- dihydroxybenzo(j)fluoranthene and trans-9,10-dihydro-9,10-dihydroxybenzo(j)fluoranthene have been identified as major metabolites by comparison of their spectral and chromatographic properties with those of pure synthetic standards. There was no evidence that any of the isomeric 2,3-dihydrodiol was formed as a metabolite of benzo(j)fluoranthene under these conditions. Neither of the metabolic dihydrodiols of benzo(j)fluoranthene were formed with a high degree of steroselectivity. The enantiomeric purity of te 4,5-dihydrodiol was 20% while that of the 9,10-dihydrodiol was 46%. At least four phenols were detected among the metabolites of benzo(j)fluoranthene These were identified as 3-,4-,6- and 10-hydroxybenzo(j)fluoranthene based upon comparison of their UV spectra and HPLC retention times with those of synthetic reference standards. Benzo(j)fluoranthene-4,5-dione was also identified as a metabolite under these incubation conditions.

来源:Hazardous Substances Data Bank (HSDB)

代谢

研究了本征体(j)荧蒽（BjF）在小鼠皮肤中的代谢，确定了反式-4,5-二氢-4,5-二羟基本征体(j)荧蒽（BjF-4,5-二醇）和反式-9,10-二氢-9,10-二羟基本征体(j)荧蒽（BjF-9,10-二醇）是主要的代谢物。此外，4-和0-羟基苯并[j]荧蒽以及本征体(j)荧蒽-4,5-二酮在小鼠皮肤中形成的代谢物中也被暂时确定。测定了本征体(j)荧蒽在小鼠皮肤中形成的代谢二醇对映体纯度。本征体(j)荧蒽-4,5-二醇的主要对映体过量为57-62%，而本征体(j)荧蒽-9,10-二醇的主要对映体过量为66-71%。在每种情况下，使用手性固定相高效液相色谱法洗脱较晚的对映体占主导地位。评估了反式-2,3-二氢-2,3-二羟基苯并[j]荧蒽（BjF-2,3-二醇）、反式-4,5-二氢-4,5-二羟基苯并[j]荧蒽、反式-9,10-二氢-9,10-二羟基苯并[j]荧蒽和本征体(j)荧蒽对雌性CD-1小鼠皮肤的肿瘤引发活性。当总引发剂量为3 umol/鼠时，反式-4,5-二氢-4,5-二羟基本征体(j)荧蒽导致肿瘤携带小鼠的发病率为100%，每只小鼠有5.0个肿瘤。相比之下，本征体(j)荧蒽-9,10-二醇引起肿瘤携带小鼠的发病率为60%，每只小鼠有1.7个肿瘤，而本征体(j)荧蒽-2,3-二醇无活性。在本征体(j)荧蒽的相同剂量下，肿瘤携带小鼠的发病率为90%，每只小鼠有7.8个肿瘤。在1 mumol剂量下，反式-4,5-二氢-4,5-二羟基本征体(j)荧蒽诱导肿瘤携带小鼠的发病率为78%，每只小鼠有4.5个肿瘤，而本征体(j)荧蒽引起肿瘤的发病率为70%，每只小鼠有3.4个肿瘤。这些研究表明，虽然反式-9,10-二氢-9,10-二羟基本征体(j)荧蒽可能对本征体(j)荧蒽在小鼠皮肤中的整体致癌活性有所贡献，但反式-4,5-二氢-4,5-二羟基本征体(j)荧蒽是在目标组织中的更有效的肿瘤引发剂。

The metabolism of benzo(j)fluoranthene (BjF) in vivo in mouse skin was investigated, trans-4,5-dihydro-4,5-dihydroxybenzo(j)fluoranthene (BjF-4,5-diol) and trans-9,10-dihydro-9,10-dihydroxybenzo(j)fluoranthene (BjF-9,10-diol) have been identified as major metabolites. In addition, 4- and 0-hydroxybenzol(j) fluoranthene and benzo(j)fluoranthene-4,5-dione have been tentatively identified among the metabolites formed in vivo in mouse skin. The enantiomeric purity of the metabolic dihydrodiols of benzo(j)fluoranthene as formed in vivo in mouse skin was determined. The major enantiomeric of benzo(j)fluoranthene-4,5-diol was present in 57-62% enantiomeric excess while that of benzo(j)fluoranthene-9,10-diol was present in 66-71% enantiomeric excess. In each case the later-eluting enantiomer on chiral stationary-phase high performance liquid chromatography predominated. The tumor-initiating activity of trans-2,3-dihydro-2,3-dihydroxybenzol(j) fluoranthene (BjF-2,3-diol), trans-4,5-Dihydro-4,5-dihydroxybenzol(j) fluoranthene, trans-9,10-dihydro-9,10-dihydroxybenzol(j)fluoranthene, and benzo(j)fluoranthene was evaluated on the skin of female CD-1 mice. As a total initiation dose of 3 umol/mouse trans-4,5-Dihydro-4,5-dihydroxybenzo(j)fluoranthene resulted in a 100% incidence of tumor-bearing mice with 5.0 tumors/mouse. In comparison, benzo(j)fluoranthene-9,10-diol elicited a 60% incidence of tumor-bearing mice with 1.7 tumors/mouse, while benzo(j)fluoranthene-2,3-diol was inactive. At the same dose, benzo(j)fluoranthene gave rise to a 90% incidence of tumor-bearing mice with 7.8 tumors/mouse. At a 1 mumol dose, trans-4,5-Dihydro-4,5-dihydroxybenzo(j) fluoranthene induced a 78% incidence of tumor-bearing mice with 4.5 tumors/mouse while benzo(j)fluoranthene gave rise to a 70% tumor incidence with 3.4 tumors/mouse. These studies indicate that while trans-9,10-dihydro-9,10-dihydroxybenzo(j) fluoranthene could contribute to the overall tumorigenic activity of benzo(j)fluoranthene in mouse skin, trans-4,5-Dihydro-4,5-dihydroxybenzol(j)fluoranthene is a more potent tumor initiator in the target tissue.

来源:Hazardous Substances Data Bank (HSDB)

代谢

多环芳烃（PAHs）的代谢发生在所有组织中，通常通过细胞色素P-450及其相关酶进行。多环芳烃被代谢成反应性中间体，其中包括环氧中间体、二氢二醇、酚、醌以及它们的各种组合。酚、醌和二氢二醇都可以与葡萄糖苷酸和硫酸酯结合；醌还可以形成谷胱甘肽结合物。

PAH metabolism occurs in all tissues, usually by cytochrome P-450 and its associated enzymes. PAHs are metabolized into reactive intermediates, which include epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations. The phenols, quinones, and dihydrodiols can all be conjugated to glucuronides and sulfate esters; the quinones also form glutathione conjugates. (L10)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

鉴定和使用：苯并(j)荧蒽（B(j)F）是一种固态多环芳香烃。它在生物化学研究中用作实验性致癌物。人类暴露和毒性：没有可用的数据。动物研究：每周三次用0.1%或0.5%的苯并(j)荧蒽乙酮溶液涂抹小鼠皮肤，在七到九个月内至少有95%的动物诱导出癌症，并产生乳头状瘤。据报道，苯并(j)荧蒽在存在外源代谢系统的条件下，以10微克/盘的浓度诱导鼠伤寒沙门氏菌TA100株（his-/his+）发生突变。苯并(j)荧蒽-4,5-二醇是苯并(j)荧蒽在小鼠皮肤上的主要近端肿瘤生成代谢物。

IDENTIFICATION AND USE: Benzo(j)fluoranthene (B(j)F) is a solid polycyclic aromatic hydrocarbon. It is used as experimental carcinogen in biochemical research. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: Thrice weekly skin paintings of mice with a 0.1 or 0.5% solution of B(j)F in acetone induced carcinomas within seven to nine months in at least 95% of the animals, as well as producing papillomas. Benzo(j)fluoranthene was reported to induce mutations in Salmonella typhimurium strain TA100 (his-/his+) at a concentration of 10 ug/plate in the presence of an exogenous metabolic system. Benzo(j)fluoranthene-4,5-diol is the major proximate tumorigenic metabolite of benzo(j)fluoranthene on mouse skin.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 毒性总结

多环芳烃（PAHs）能够与血液中的蛋白质，如白蛋白结合，从而在体内进行传输。许多多环芳烃通过与芳烃受体或甘氨酸N-甲基转移酶蛋白结合，诱导细胞色素P450酶的表达，尤其是CYP1A1、CYP1A2和CYP1B1。这些酶将多环芳烃代谢成其有毒的中间产物。多环芳烃的反应性代谢物（环氧化物中间体、二氢二醇、酚、醌及其各种组合）与DNA和其他细胞大分子共价结合，启动突变和致癌过程。

The ability of PAH's to bind to blood proteins such as albumin allows them to be transported throughout the body. Many PAH's induce the expression of cytochrome P450 enzymes, especially CYP1A1, CYP1A2, and CYP1B1, by binding to the aryl hydrocarbon receptor or glycine N-methyltransferase protein. These enzymes metabolize PAH's into their toxic intermediates. The reactive metabolites of PAHs (epoxide intermediates, dihydrodiols, phenols, quinones, and their various combinations) covalently bind to DNA and other cellular macromolecules, initiating mutagenesis and carcinogenesis. (L10, L23, A27, A32)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

15种单独的多环芳烃（PAHs）基于实验动物研究的充分致癌性证据，合理预期为人类致癌物。/芴并[j]芘 CAS 205-82-3/

The 15 individual PAHs are reasonably anticipated to be human carcinogens based on sufficient evidence of carcinogenicity from studies in experimental animals. /Benzo(j)fluoranthene CAS 205-82-3/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

实验动物中有充分的证据表明苯并(j)荧蒽具有致癌性。总体评估：苯并(j)荧蒽可能对人类致癌（2B组）。

There is sufficient evidence in experimental animals for the carcinogenicity of benzo(j)fluoranthene. OVERALL EVALUATION: Benzo(j)fluoranthene is possibly carcinogenic to humans (Group 2B).

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

国际癌症研究机构致癌物：苯并[j]荧蒽

IARC Carcinogenic Agent:Benzo[j]fluoranthene

来源:International Agency for Research on Cancer (IARC)

安全信息

• 危险等级：
  6.1(b)
• 危险品标志：
  T,N
• 安全说明：
  S23,S24/25,S26,S36/37,S45,S53,S60,S61
• 危险类别码：
  R63,R36/37/38,R43,R45,R50/53,R23/24/25
• WGK Germany：
  3
• 海关编码：
  2902909090
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 危险品运输编号：
  UN 3077

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Benzo[j]fluoranthene solution
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Carcinogenicity (Category 1B), H350
Specific target organ toxicity - single exposure (Category 3), Respiratory system, Central nervous system,
H335, H336
Specific target organ toxicity - repeated exposure, Oral (Category 2), Liver, Blood, H373
Specific target organ toxicity - repeated exposure, Inhalation (Category 2), Central nervous system, H373
Chronic aquatic toxicity (Category 3), H412
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
T Toxic R45
R67, R36/37/38
R52/53
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Danger
Hazard statement(s)
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H335 May cause respiratory irritation.
H336 May cause drowsiness or dizziness.
H350 May cause cancer.
H373 May cause damage to organs (Liver, Blood) through prolonged or
repeated exposure if swallowed.
H373 May cause damage to organs (Central nervous system) through
prolonged or repeated exposure if inhaled.
H412 Harmful to aquatic life with long lasting effects.
Precautionary statement(s)
P201 Obtain special instructions before use.
P261 Avoid breathing vapours.
P273 Avoid release to the environment.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P308 + P313 IF exposed or concerned: Get medical advice/ attention.
Supplemental Hazard none
Statements
Restricted to professional users.
According to European Directive 67/548/EEC as amended.
Hazard symbol(s) T Toxic
R-phrase(s)
R45 May cause cancer.
R36/37/38 Irritating to eyes, respiratory system and skin.
R52/53 Harmful to aquatic organisms, may cause long-term adverse effects in
the aquatic environment.
R67 Vapours may cause drowsiness and dizziness.
S-phrase(s)
S53 Avoid exposure - obtain special instructions before use.
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
S61 Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Restricted to professional users.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Mixtures
Formula : C20H12
Molecular Weight : 252,31 g/mol
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Methylene chloride
CAS-No. 75-09-2 Skin Irrit. 2; Eye Irrit. 2; Carc. <= 100 %
EC-No. 200-838-9 2; STOT SE 3; STOT RE 2;
Index-No. 602-004-00-3 H315, H319, H335, H336,
H351, H373, H373
Benz(j)fluoranthene
CAS-No. 205-82-3 Carc. 1B; Aquatic Acute 1; 0,1 - 0,25 %
EC-No. 205-910-3 Aquatic Chronic 1; H350,
Index-No. 601-035-00-X H410
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Methylene chloride
CAS-No. 75-09-2 Xn, Carc.Cat.3, Xi, R36/37/38 <= 100 %
EC-No. 200-838-9 - R40 - R67
Index-No. 602-004-00-3
Benz(j)fluoranthene
CAS-No. 205-82-3 T, N, Carc.Cat.2, R45 - 0,1 - 0,25 %
EC-No. 205-910-3 R50/53
Index-No. 601-035-00-X
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.Avoid exposure - obtain special
instructions before use.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
Heat sensitive.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
with multi-purpose combination (US) or type AXBEK (EN 14387) respirator cartridges as a backup
to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
respirator. Use respirators and components tested and approved under appropriate government
standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: liquid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and 40,0 °C at 1.013,2 hPa
boiling range
g) Flash point no data available
h) Evapouration rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure 470,9 hPa at 20,0 °C
l) Vapour density no data available
m) Relative density no data available
n) Water solubility slightly soluble
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Bases, Alkali metals, Strong acids and strong bases, Strong oxidizing agents, Amines, Vinyl compounds,
Aluminum, Magnesium
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

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SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: 2B - Group 2B: Possibly carcinogenic to humans (Methylene chloride)
IARC: 2B - Group 2B: Possibly carcinogenic to humans (Benz(j)fluoranthene)
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
Inhalation - May cause damage to organs through prolonged or repeated exposure. - Central nervous
system
Oral - May cause damage to organs through prolonged or repeated exposure. - Liver, Blood
Aspiration hazard
no data available
Additional Information
RTECS: Not available
Dichloromethane is metabolized in the body producing carbon monoxide which increases and sustains
carboxyhemoglobin levels in the blood, reducing the oxygen-carrying capacity of the blood., Acts as a
simple asphyxiant by displacing air., anesthetic effects, Breathing difficulties, Headache, Dizziness,
Prolonged or repeated contact with skin may cause:, defatting, Dermatitis, Contact with eyes can cause:,
Redness, Blurred vision, Provokes tears.

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SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
Harmful to aquatic life with long lasting effects.

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: 1593 IMDG: 1593 IATA: 1593
UN proper shipping name
ADR/RID: DICHLOROMETHANE, SOLUTION
IMDG: DICHLOROMETHANE, SOLUTION
IATA: Dichloromethane, SOLUTION
Transport hazard class(es)
ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

类别：有毒物品

可燃性危险特性：

• 可燃
• 燃烧时产生刺激烟雾

储运特性：

• 通风
• 低温干燥

灭火剂：

• 干粉
• 泡沫
• 沙土
• 二氧化碳
• 雾状水

反应信息

• 作为反应物：
  描述：

  苯并[j]荧蒽 在 sodium 、 异丙醇 作用下， 生成 (+/-)-cis,syn-4,5,6,6a,6b,7,8,12b-Octahydrobenzofluoranthen
  参考文献：
  名称：

  The Polymerization of 1,2-Dihydronaphthalene and the Dehydrogenating Condensation of 1,2,3,4-Tetrahydronaphthalene

  摘要：

  DOI：

  10.1021/ja01164a047
• 作为产物：
  描述：

  1-苊酮 在 四氢呋喃 、 吡啶 、 四(三苯基膦)钯 、 三溴化磷 、 四氯化钛 、 potassium carbonate 、 锌 作用下， 以 1,4-二氧六环 、 氯仿 、 水 为溶剂， 反应 20.0h， 生成 苯并[j]荧蒽
  参考文献：
  名称：

  天然产物苯并[ j ]荧蒽-4,9-二醇的全合成：氧化苯并[ j ]荧蒽的合成方法

  摘要：

  描述了苯并[ j ]荧蒽原子核的合成序列。该过程的关键步骤包括在适当取代的2-溴-ena基-1-甲醛与2-甲酰基苯硼酸酯之间进行Suzuki偶联，然后进行McMurry闭环。该合成代表了苯并[ j ]荧蒽环系统的一种新方法，并特别提供了一种快速制备不同取代的衍生物的方法。按照这一策略，对最近分离出的天然产物苯并[ j ]荧蒽-4,9-二醇进行了首次全合成。

  DOI：

  10.1021/jo401887t

文献信息

• Microwave Flash Pyrolysis
  作者：Hee Yeon Cho、Aida Ajaz、Dibya Himali、Prashant A. Waske、Richard P. Johnson

  DOI：10.1021/jo900245v

  日期：2009.6.5

  In a microwave reactor, graphite heats rapidly to high surface temperatures; applications of graphite thermal “sensitization” have been described previously. We report here that microwave thermal sensitization with graphite, carbon nanotubes, or silicon carbide can be used to carry out reactions more typically accomplished by flash vacuum pyrolysis (FVP) and which usually require temperatures much

  在微波反应器中，石墨会迅速加热到很高的表面温度。石墨热“敏化”的应用已在前面进行了描述。我们在这里报告说，用石墨，碳纳米管或碳​​化硅进行的微波热敏化可用于进行更典型的通过快速真空热解（FVP）完成的反应，并且通常需要的温度要远远高于微波反应器的标称极限。固相在100至300°C的温度下，石墨烯对石墨的微波敏化微波反应可快速重排成萘，该反应通常在700-900°C下通过FVP观察到。当用作热敏剂时，多壁碳纳米管会产生相似的结果。我们观察到的其他石墨敏化反应包括：将2-乙炔基联苯转变为菲，将邻苯二甲酸酐裂解为苯炔，将碘代苯裂解为苯基，将芳基-芳基键裂解，以及进行各种环芳化反应。对于挥发性较小的基材，看到了一个优点。在粉状碳化硅上也观察到氮杂的重排和由邻苯二甲酸酐生成苯炔。由于高温，快速加热以及频繁地从辐照区喷射物料，我们将此通用方法称为微波闪速热解（MFP）。在粉状碳化硅上也观察到氮杂的重排
• Emission Factors and Importance of PCDD/Fs, PCBs, PCNs, PAHs and PM₁₀ from the Domestic Burning of Coal and Wood in the U.K.
  作者：Robert G. M. Lee、Peter Coleman、Joanne L. Jones、Kevin C. Jones、Rainer Lohmann

  DOI：10.1021/es048745i

  日期：2005.3.1

  fuels. However, their combined emissions from the domestic burning of coal and wood would contribute only a few percent to annual U.K. emission estimates. Emissions of PAHs and PM10 were major contributors to U.K. national emission inventories. Major emissions were found from the domestic burning for Cl1,2,3DFs, while the contribution of PCDD/F-sigmaTEQ to total U.K. emissions was minor.

  本文介绍了当煤和木材经过受控燃烧实验时针对一系列持久性有机污染物（POPs）得出的排放因子（EFs），旨在模拟空间供暖的家庭燃烧。排放了各种各样的持久性有机污染物，煤炭的排放量高于木材的排放量。对于颗粒物，PM10（大约10 g / kg燃料）和多环芳烃（对于sigmaPAHs大约100 mg / kg燃料）获得了最高的EF。对于氯化物，多氯联苯（PCB）的EF最高，而多氯萘（PCN），二苯并-对-二恶英（PCDD）和二苯并呋喃（PCDF）的丰度较低。对于sigmaPCB，EF大约为1000 ng / kg燃料，对于sigmaPCNs大约为100s ng / kg燃料，对于sigmaPCDD / Fs大约为100 ng / kg燃料。该研究证实，一氯化至三氯化二苯并呋喃Cl1,2,3DFs是低温燃烧过程（如煤炭和木材的国内燃烧）的有力指标。结论是，在固体燃料燃烧期间通常形成许多PCB和PC
• Three-Step Synthesis of Fluoranthenes through Pd-Catalyzed Inter- and Intramolecular C–H Arylation
  作者：Miyuki Yamaguchi、Mayu Higuchi、Kanae Tazawa、Kei Manabe

  DOI：10.1021/acs.joc.6b00553

  日期：2016.5.6

  the preparation of fluoranthenes, involving Miura’s intermolecular C–H arylation, nonaflation, and intramolecular C–H arylation, has been developed. Various 1-naphthols and haloarenes were successfully used as substrates. Reaction conditions that afford high site selectivity have been developed for the intramolecular C–H arylation step.

  已经开发了一种三步合成的荧光素合成方法，涉及Miura的分子间C–H芳基化，非消融和分子内C–H芳基化。各种1-萘酚和卤代芳烃已成功用作底物。已经为分子内CH芳基化步骤开发了具有高位点选择性的反应条件。
• Efficient Routes to Acenaphthylene-Fused Polycyclic Arenes/Heteroarenes and Heterocyclic Fluoranthene Analogues
  作者：Kausik Panda、Chelvam Venkatesh、Hiriyakkanavar Ila、Hiriyakkanavar Junjappa

  DOI：10.1002/ejoc.200400735

  日期：2005.5

  α-oxoketene dithioacetal 2 has been subjected to various [3 + 3] aromatic and heteroaromatic annulation and other heterocyclization reactions previously developed in our laboratory, providing short and efficient routes to a diverse range of known and unknown acenaphtho-annulated linear and angular PAHs, heteroaromatics and five-membered heterocycles in good yields. Thus, benzo- and naphthoannulation of 2 with

  苊酮衍生的 α-氧代烯酮二硫缩醛 2 已经进行了各种 [3 + 3] 芳族和杂芳族环化以及我们实验室先前开发的其他杂环化反应，为各种已知和未知的苊环化线性提供了短而有效的途径和角多环芳烃、杂芳烃和五元杂环的收率良好。因此，2 与各种烯丙基和苄基格氏试剂的苯并环和萘环化分别以良好的产率得到取代的荧蒽 4a-c 和苯并 [k] 荧蒽 8。类似地，母体苯并[j]荧蒽 15a 及其取代衍生物 16b 已通过芳基乙腈与 2 的碱诱导共轭 1,4-加成合成，接着是酸诱导的共轭加合物 12a-b 环化得到 13a-b 并随后进一步转化。由苯乙酮和苊酮衍生的阴离子的 1,4-加成得到的加合物在乙酸铵存在下进行杂环化，得到 8-芳基苊[1,2-b]吡啶 18a-b 和双（苊）-环化吡啶 20 . 2 与双功能亲核试剂（如 2-吡啶甲基锂和硝酸胍）的杂环化分别以高产率得到相应的苊并 [1,2-b] 喹啉鎓盐 23
• Synthesis, molecular structure, and chemical reactivity of azuleno[1,2-a]acenaphthylene
  作者：Masaru Mouri、Shigeyasu Kuroda、Mitsunori Oda、Ryuta Miyatake、Mayumi Kyogoku

  DOI：10.1016/s0040-4020(02)01614-9

  日期：2003.2

  Takase–Yasunami azulene synthesis. Its 1H and 13C NMR spectra indicate that 1a comprises azulene and naphthalene rather than acenaphtylene and heptafulvene in accordance with speculation drawn from a previous study of the DEPE calculations. The solid-state structure of 1a was elucidated by X-ray crystallographical analysis, indicating that 1a is nearly planar and exhibits little bond alternation as

  采用高濑-靖南a合成方法，由1-吡咯烷基戊二烯（5）和2 H-环庚基[ b ]呋喃-2-酮（6）制备了azuleno [1,2- a ] a（1a）。根据先前对DEPE计算的研究得出的推测，其1 H和13 C NMR光谱表明1a包含a和萘，而不是a庚烯和七氟戊烯。通过X射线晶体学分析阐明了1a的固态结构，表明1a在MB3LYP / 6-311G *理论水平的优化结构中，几乎呈平面状，几乎没有键交替。通过X射线分析观察到的所有键长与所计算的键长在0.024Å内吻合良好。在热解条件下1a进行了氮杂-萘重排，得到9和10。在7位上观察到1a的亲电取代，在3位上观察到第二个反应。的环加成反应1A与乙炔二（DMAD），得到1：1的环加成物与庚搭烯骨架16A和1：2环加成物19，与取代产物沿17。还描述了环加合物16a和19的X射线结构分析。

表征谱图