1,2,4-三溴--5-甲苯 | 3278-88-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2,4-三溴--5-甲苯
• 中文别名: 2,4,5-三溴甲苯
• 英文名称: 2,4,5-Tribrom-toluol
• 英文别名: 2,4,5-Tribromotoluene；1,2,4-tribromo-5-methylbenzene
• CAS: 3278-88-4
• 化学式: C₇H₅Br₃
• 分子量: 328.829
• InChiKey: KZZJNNUPNNBCCH-UHFFFAOYSA-N

物化性质

• 熔点：
  112-114°C
• 沸点：
  299.3±35.0 °C(Predicted)
• 密度：
  2.131±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于DMSO、甲醇（少许）
• 稳定性/保质期：
  在常温常压下稳定：

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xn,Xi,T
• 安全说明：
  S22,S24/25,S36/37,S36/37/39,S45
• 危险类别码：
  R40,R36/37/38
• WGK Germany：
  2
• RTECS号：
  HA6040000
• 海关编码：
  2903999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : 2,4,5-Tribromotoluene
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
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.

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SECTION 3: Composition/information on ingredients
Substances
Molecular weight : 328,83 g/mol
No components need to be disclosed according to the applicable regulations.

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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
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
Nature of decomposition products not known.
Advice for firefighters
Wear self-contained breathing apparatus for firefighting 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 vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
No special environmental precautions required.
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.
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.
Storage class (TRGS 510): Non Combustible Solids
Specific end use(s)
Apart 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
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).
Control of environmental exposure
No special environmental precautions required.

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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 No data available
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 No data available
n) Water solubility No data available
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
Strong oxidizing agents
Hazardous decomposition products
In the event of fire: see section 5

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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 sensitisation
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
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
This substance/mixture contains no components considered to be either persistent, bioaccumulative and
toxic (PBT), or very persistent and very bioaccumulative (vPvB) at levels of 0.1% or higher.
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
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
No data available
Chemical Safety Assessment
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Further information
Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  1,2,4-三溴--5-甲苯 在 硝酸 作用下， 生成 2,4,5-tribromo-3-nitro-toluene
  参考文献：
  名称：

  Jaeger, Zeitschrift fur Kristallographie, 1905, vol. 40, p. 374

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4-二溴甲苯 在 aluminium amalgam 作用下， 生成 1,2,4-三溴--5-甲苯
  参考文献：
  名称：

  Cohen; Dutt, Journal of the Chemical Society, 1914, vol. 105, p. 515

  摘要：

  DOI：

文献信息

• Synthetic Clay Excels in ⁹⁰Sr Removal
  作者：Sridhar Komarneni、Tatsuya Kodama、William J. Paulus、C. Carlson

  DOI：10.1557/jmr.2000.0182

  日期：2000.6

  ground water from Hanford site, and fundamental studies of 2Nasup +}yields}Srsup 2+} exchange equilibria revealed that a synthetic clay is extremely selective for sup 90}Sr with a high capacity for uptake. Comparative studies with existing Sr selective ion exchangers clearly revealed that the present synthetic clay exhibited the best performance for sup 90}Sr removal from actual ground water collected

  对来自汉福德场地的实际地下水进行的测试以及对 2Na sup +}产量}Srsup 2+} 交换平衡的基础研究表明，合成粘土对 sup 90}Sr 具有极高的选择性，具有很高的吸收能力。与现有 Sr 选择性离子交换剂的比较研究清楚地表明，本合成粘土表现出从汉福德三个不同位置收集的实际地下水中去除 sup 90}Sr 的最佳性能。这种新型 Sr 离子筛有望用于在意外释放和 sup 90}Sr 污染后净化环境。(c) 2000 材料研究学会。
• Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group
  申请人：NAKAZATO Atsuro

  公开号：US20080287397A1

  公开（公告）日：2008-11-20

  An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastric diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. This problem can be solved with a pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by formula [I] below which has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  本发明的目的是提供一种CRF受体拮抗剂，作为治疗或预防与CRF有关的疾病的药物，例如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、皮炎、精神分裂症等。这个问题可以通过下式[I]所表示的带有环状氨基基团的吡咯吡嘧啶或吡咯吡啶衍生物来解决，其具有高亲和力，对CRF受体有效，并且对与CRF有关的疾病也有效。
• Olefin polymerization catalyst system useful for polar monomers
  申请人：Baugh Sauders Lisa

  公开号：US20070197751A1

  公开（公告）日：2007-08-23

  This invention relates to copolymers produced by a polymerization method comprising contacting at least one olefin monomer, at least one polar monomer, an optional activator, and a catalyst compound represented by the formula: wherein M is selected from groups 3-11 of the periodic table; L 1 represents a formal anionic ligand, L 2 represents a formal neutral ligand, a is an integer greater than or equal to 1; b is greater than or equal to 0; c is greater than or equal to 1, E is nitrogen or phosphorus, Ar 0 is arene, R 1 -R 4 are, each independently, selected from hydrogen, hydrocarbyl, substituted hydrocarbyl or functional group, provided however that R 3 and R 4 do not form a naphthyl ring, N is nitrogen and O is oxygen.

  本发明涉及通过聚合方法制备的共聚物，该方法包括接触至少一种烯烃单体、至少一种极性单体、可选的活化剂和催化剂化合物。该催化剂化合物的化学式为：其中M从周期表的3-11组中选择；L1表示正离子配体，L2表示中性配体，a是大于等于1的整数；b大于等于0；c大于等于1；E是氮或磷，Ar0是芳烃，R1-R4分别选择自氢、烃基、取代烃基或功能基，但R3和R4不形成萘环，N是氮，O是氧。
• PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP
  申请人：NAKAZATO Atsuro

  公开号：US20110130364A1

  公开（公告）日：2011-06-02

  An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastric diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alopecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. This problem can be solved with a pyrrolopyrimidine or pyrrolopyridine derivative substituted with a cyclic amino group represented by formula [I] below which has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  本发明的目的是提供一种CRF受体拮抗剂，该拮抗剂作为治疗或预防CRF参与的疾病的药物，如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合征、睡眠障碍、皮炎、精神分裂症等方面有效。这个问题可以通过一种代表式[I]下的带有环状氨基基团的吡咯吡咪啉或吡咯吡啶衍生物来解决，该衍生物对CRF受体具有高亲和力，并对CRF参与的疾病有效。
• Verfahren zur alpha-Halogenierung von gegebenenfalls substituierten Methylaromaten
  申请人：BAYER AG

  公开号：EP0045423A1

  公开（公告）日：1982-02-10

  Die Erfindung betrifft ein Verfahren zur a-Halogenierung von gegebenenfalls substituierten Methylaromaten und a-Brom und a-Chlor enthaltende Halogenierungsgemische. Gegebenenfalls substituierte Methylaromaten, die in a-Stellung an wenigstens einer Seitenkette wenigstens ein Wasserstoff tragen, werden zur a-Halogenierung bei 40 bis 250°C mit Chlorbrom oder einem Chlorbrom enthaltenden Halogenierungsmittel umgesetzt. Hierzu kann gegebenenfalls in Gegenwart von Radikalbildnern und/oder bei Bestrahlung mit Licht sowie gegebenenfalls in Gegenwart von Lösungsmitteln gearbeitet werden. Pro Mol Methylaromat werden 0,5 bis 3,2 Mol Halogenierungsmittel, gerechnet als Chlorbrom, eingesetzt. Hierbei werden Gemische erhalten, die mehr als 50 Gew.-%, bevorzugt 70 bis 75 Gew.-% des Gesamtgewichts des Gemisches an gegebenenfalls substituierten und in der Methylgruppe halogenierten Methylaromaten enthalten, wobei das in die Methylgruppe eingetretene Halogen zu 50 bis 99 Äquivalentprozent Brom und zu 50 bis 1 Äquivalentprozent Chlor, alles bezogen auf die Gesamtzahl der eingetretenen Äquivalente Halogen, besteht.

  本发明涉及一种对任选取代的甲基芳烃以及含有 a-溴和 a-氯的卤化混合物进行 a-卤化的工艺。与氯溴或含有氯溴的卤化剂在 40 至 250°C 的温度下进行 a-卤化反应。反应可在有自由基形成剂和/或光照的情况下进行，必要时也可在有溶剂的情况下进行。每摩尔甲基芳香族使用 0.5 至 3.2 摩尔卤化剂（以氯溴计算）。所得到的混合物中，甲基中卤化的可选取代的甲基芳烃占混合物总重量的 50%以上，最好是 70 至 75%，进入甲基的卤素包括 50 至 99%当量的溴和 50 至 1%当量的氯，均以进入的卤素当量总数计算。

表征谱图