1-氯蒽 | 4985-70-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 1-氯蒽
• 英文名称: 1-chloroanthracene
• 英文别名: 1-Chlor-anthracen
• CAS: 4985-70-0
• 化学式: C₁₄H₉Cl
• mdl: MFCD00003578
• 分子量: 212.678
• InChiKey: SRIHSAFSOOUEGL-UHFFFAOYSA-N

物化性质

• 熔点：
  77-80 °C (lit.)
• 沸点：
  275.35°C (rough estimate)
• 密度：
  1.171 g/mL at 25 °C (lit.)
• 保留指数：
  1988.7
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，未有已知危险发生。 应避免与强氧化剂接触。

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• 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

安全信息

• WGK Germany：
  3
• 储存条件：
  请将药品存放在密闭、阴凉干燥处，并保持良好通风。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-Chloroanthracene
CAS-No. : 4985-70-0
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
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C14H9Cl
Molecular Weight : 212,67 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
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
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Sweep up and shovel. 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
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 77 - 80 °C - lit.
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 1,171 g/mL at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition 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
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: Not available

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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
no data available
Other adverse effects
no data available

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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: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
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

用途

1-氯蒽通过固态[4+4]-光二聚形成光二聚体trans-bi(1-氯-9,10-二氢-9,10-蒽二烯)。主要应用于研究多环芳烃对碳氢化合物在F344大鼠肝上皮细胞中间隙连接的细胞间通讯和细胞内受体激酶活化的影响。

反应信息

• 作为反应物：
  描述：

  1-氯蒽 在 2(3),9(10),16(17),23(24)-octa(n-hexyl)cobalt(II)phthalocyanine 、 氢气 作用下， 以 水 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 2.0h， 以88%的产率得到蒽
  参考文献：
  名称：

  A simple and effective approach for catalytic reductive dechlorination of aromatic compounds

  摘要：

  一种高效的制备2(3),9(10),16(17),23(24)-八(正己基)钴(II)酞菁((正己基)₈CoPc) (2)的过程被描述。这种新型的钴(II)酞菁通过光谱方法进行表征。它被用作室温下氯化芳香化合物(CACs)的还原脱氯催化剂。结果显示，CACs在110-120分钟内完全脱氯。

  DOI：

  10.1139/cjc-2016-0567
• 作为产物：
  描述：

  1-氯蒽醌 在 sodium tetrahydroborate 、 sodium hydroxide 作用下， 以 异丙醇 为溶剂， 以50 %的产率得到1-氯蒽
  参考文献：
  名称：

  轻松合成三蝶烯-唑盐和 NHC-金属配合物

  摘要：

  取代的蒽和醌亚胺的环加成是轻松合成新型三蝶烯-NHC-金属配合物的关键步骤。

  DOI：

  10.1002/ejic.202300178

文献信息

• DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES
  申请人：THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL

  公开号：US20160096791A1

  公开（公告）日：2016-04-07

  A method of making an anti-Markovnikov addition product, comprises reacting an acid with an alkene or alkyne in a dual catalyst reaction system to the exclusion of oxygen to produce said anti-Markovnikov addition product; the dual catalyst reaction system comprising a single electron oxidation catalyst in combination with a hydrogen atom donor catalyst. Dual catalyst composition useful for carrying out such methods are also described.

  一种制备反马尔科夫尼科夫加成产物的方法，包括在排除氧气的双催化剂反应体系中，使酸与烯烃或炔烃发生反应，以产生所述反马尔科夫尼科夫加成产物；所述双催化剂反应体系包括单电子氧化催化剂与氢原子给体催化剂的组合。还描述了用于执行此类方法的双催化剂组合物。
• Design of an Indolylphosphine Ligand for Reductive Elimination-Demanding Monoarylation of Acetone Using Aryl Chlorides
  作者：Wai Chung Fu、Chau Ming So、Wing Kin Chow、On Ying Yuen、Fuk Yee Kwong

  DOI：10.1021/acs.orglett.5b02344

  日期：2015.9.18

  elimination-demanding Pd-catalyzed mono-α-arylation of acetone is demonstrated and reported. The catalyst is tolerant of previously proven challenging electron-deficient aryl chlorides and provides excellent product yields with down to 0.1 mol % Pd. Preliminary investigations suggest that the rate-limiting step for the proposed system is the oxidative addition of aryl chlorides, in which it contradicts

  证明并报道了膦配体的合理设计，该膦配体用于还原性消除要求的Pd催化的丙酮单α-芳基化反应。该催化剂可耐受先前证明的具有挑战性的缺乏电子的芳基氯化物，并能以低至0.1 mol％的Pd提供出色的产品收率。初步研究表明，所提出系统的限速步骤是氧化加成芳基氯，在该反应中，它与先前有关丙酮与芳基卤化物的α-芳基化的发现相矛盾。
• Efficient Indium-Mediated Dehalogenation of Aromatics in Ionic Liquid Media
  作者：Álvaro Cañete、Cristian Salas、Flavia Zacconi

  DOI：10.3390/molecules18010398

  日期：——

  An efficient indium-mediated dehalogenation reaction of haloaromatics and haloheteroaromatics in ionic liquids has been studied. This method is simple and effective in the presence of [bmim]Br. Furthermore, this methodology is environmentally friendly compared with conventional ones.

  研究了离子液体中卤代芳烃和卤代杂芳烃的高效铟介导脱卤反应。该方法在[bmim]Br存在下简单有效。此外，与传统方法相比，这种方法是环保的。
• Nickel-Catalyzed Cross-Coupling of Organolithium Reagents with (Hetero)Aryl Electrophiles
  作者：Dorus Heijnen、Jean-Baptiste Gualtierotti、Valentín Hornillos、Ben L. Feringa

  DOI：10.1002/chem.201505106

  日期：2016.3.14

  Nickel‐catalyzed selective cross‐coupling of aromatic electrophiles (bromides, chlorides, fluorides and methyl ethers) with organolithium reagents is presented. The use of a commercially available nickel N‐heterocyclic carbene (NHC) complex allows the reaction with a variety of (hetero)aryllithium compounds, including those prepared via metal‐halogen exchange or direct metallation, whereas a commercially

  介绍了镍催化的芳香族亲电子试剂（溴化物、氯化物、氟化物和甲醚）与有机锂试剂的选择性交叉偶联。使用市售的镍N-杂环卡宾 (NHC) 配合物可以与多种（杂）芳基锂化合物反应，包括通过金属卤素交换或直接金属化制备的化合物，而市售的富电子镍-双膦络合物将烷基锂物质顺利地转化为相应的偶联产物。这些反应在温和条件（室温）下快速进行（1 小时），同时避免了不希望的还原或均偶联产物的形成。
• [EN] ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF<br/>[FR] COMPOSÉS ANTIMICROBIENS, LEUR SYNTHÈSE ET LEURS APPLICATIONS
  申请人：JNCASR BANGALORE

  公开号：WO2014097178A1

  公开（公告）日：2014-06-26

  The present disclosure relates to the field of medicinal chemistry and more particularly to the development of antimicrobial compounds. The disclosure relates to the synthesis and characterization of compounds comprising aromatic radical or an aliphatic radical, an alkyl amine and amino acid moiety wherein said compounds exhibit antimicrobial activity against various drug-sensitive and drug-resistant pathogenic 10 microorganisms.

  本公开涉及药物化学领域，更具体地涉及抗菌化合物的开发。该公开涉及合成和表征包含芳香基团或脂肪基团、烷基胺和氨基酸基团的化合物，其中这些化合物对各种对药物敏感和耐药病原微生物表现出抗菌活性。

表征谱图