1-氯-4-乙基苯 | 622-98-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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-氯-4-乙基苯
• 中文别名: 1-氯-4-乙苯；对氯乙基苯
• 英文名称: 4-chloro(ethylbenzene)
• 英文别名: 1-chloro-4-ethylbenzene；p-chloroethylbenzene；1-ethyl-4-chlorobenzene；4-chloro-1-ethylbenzene；4-chlorophenylethane
• CAS: 622-98-0
• 化学式: C₈H₉Cl
• 分子量: 140.612
• InChiKey: GPOFSFLJOIAMSA-UHFFFAOYSA-N

物化性质

• 熔点：
  -62.6°C
• 沸点：
  184-185°C
• 密度：
  1,03 g/cm3
• 闪点：
  184-185°C
• 溶解度：
  难溶于水
• 保留指数：
  1055;1067;1028;1031
• 稳定性/保质期：
  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险品标志：
  Xn,N
• 安全说明：
  S23,S24/25
• 危险类别码：
  R22,R51/53
• WGK Germany：
  3
• 海关编码：
  2903999090
• 包装等级：
  III
• 危险类别：
  3
• 危险性防范说明：
  P305+P351+P338
• 危险品运输编号：
  1993
• 危险性描述：
  H225,H319
• 储存条件：
  请将存放在密封容器内，并储存在阴凉、干燥的地方。储存位置应远离氧化剂。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 1-Chloro-4-ethylbenzene
CAS-No. : 622-98-0
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
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Flammable liquids (Category 3)
Acute toxicity, Oral (Category 4)
Eye irritation (Category 2)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed. Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic
environment.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H226 Flammable liquid and vapour.
H302 Harmful if swallowed.
H319 Causes serious eye irritation.
Precautionary statement(s)
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
R51/53 Toxic to aquatic organisms, may cause long-term adverse effects in the
aquatic environment.
S-phrase(s)
S61 Avoid release to the environment. Refer to special instructions/ Safety
data sheets.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C8H9Cl
Molecular Weight : 140,61 g/mol
Component Concentration
1-Chloro-4-ethylbenzene
CAS-No. 622-98-0 -
EC-No. 210-763-3

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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
Do NOT induce vomiting. 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
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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
For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large
fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or
spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of
water.
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
Use water spray to cool unopened containers.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Remove all sources of ignition. Beware of vapours accumulating to form explosive concentrations.
Vapours can accumulate in low areas.
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
Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
place in container for disposal according to local regulations (see section 13).
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.
Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
charge.
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.
Specific end use(s)
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
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, Flame retardant antistatic protective clothing, 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 ABEK (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).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: liquid
Colour: colourless
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 60 °C - closed cup
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 1,045 g/cm3 at 25 °C
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 3,729
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
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
Heat, flames and sparks.
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 Harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes Causes eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
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
Toxic to aquatic life.

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
company. Contact a licensed professional waste disposal service to dispose of this material.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: 1993 IMDG: 1993 IATA: 1993
UN proper shipping name
ADR/RID: FLAMMABLE LIQUID, N.O.S. (1-Chloro-4-ethylbenzene)
IMDG: FLAMMABLE LIQUID, N.O.S. (1-Chloro-4-ethylbenzene)
IATA: Flammable liquid, n.o.s. (1-Chloro-4-ethylbenzene)
Transport hazard class(es)
ADR/RID: 3 IMDG: 3 IATA: 3
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
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
no data available

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Section 16. OTHER INFORMATION
Further information
Copyright 2013 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-氯-4-乙基苯 在 叔丁基过氧化氢 作用下， 以 乙腈 为溶剂， 反应 15.0h， 以91%的产率得到对氯苯乙酮
  参考文献：
  名称：

  阴离子-阳离子双金属位点纳米级局部氮化碳对C(sp3)-H键的可见光光催化选择性氧化

  摘要：

  通过用光诱导的高活性氧自由基提取 H，将C(sp 3 )-H 键选择性氧化为羰基是一种用于提供高价值产品的有效方法。在这里，我们报告了一种使用阴离子-阳离子双金属位点调制的氮化碳在环境温度下在可见光（λ = 425 nm）照射下的多相光催化烷烃 C-H 键氧化方法。优化的 Fe 3+或 Ni 2+阳离子 (C)与磷钨酸盐 (PW 12 3- )阴离子 (A ) 构成纳米级双金属位点 (DMS)。以 Fe-PW 12双金属位点作为模型 (FePW)，我们展示了 A-C DMS 纳米级局部氮化碳 (A-C/gC 3N 4 ) 表现出高度增强的光催化活性，具有高产率（86% 转化率）、选择性（高达 99%）和广泛的官能团耐受性（52 个例子）。氮化碳兼有可见光响应的作用，提高了 C(sp 3 )-H 键氧化成羰基的选择性，以及 A-C DMS 在提高产品产率方面的作用。机理研究表明，该反应遵循由

  DOI：

  10.1039/d1cy00328c
• 作为产物：
  描述：

  对氯苯乙酮 在 苯硅烷 、 1,3-bis(perfluorophenyl)-4,5-diphenyl-1,2,3-triazol-3-ium tetrakis(3,5-bis-(trifluoromethyl)phenyl)borate 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以84%的产率得到1-氯-4-乙基苯
  参考文献：
  名称：

  三唑鎓盐作为路易斯酸催化剂

  摘要：

  我们描述了一种新型的氮基路易斯酸：四芳基-1,2,3-三唑盐。这些都通过 NMR 和 X 射线晶体学进行了充分表征。Gutmann-Beckett 酸度数被确定为高达 35.6，与先前研究的硝鎓盐相比，这一数字很高。这些盐在温和的条件下以优异的产率催化酮、醛、缩醛、醇、醚和甲硅烷基醚的轻松氢化硅烷化-脱氧。据我们所知，这代表了用作路易斯酸催化剂的三唑鎓离子的第一个例子。

  DOI：

  10.1021/acs.orglett.2c01108
• 作为试剂：
  描述：

  对溴甲苯 、 (甲基亚砜亚胺基)苯 在 1-氯-4-乙基苯 、 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 甲苯 为溶剂， 反应 30.0h， 以83%的产率得到N-(4-methylphenyl)-S-methyl-S-phenylsulfoximine
  参考文献：
  名称：

  Efficient palladium-catalyzed N-arylation of a sulfoximine with aryl chlorides

  摘要：

  开发了一种高效的N-芳基化反应，使用了Pd2(dba)3作为催化剂和各种配体。使用RuPhos作为配体的反应获得了中等到优良的耦合产物产率。

  DOI：

  10.1039/c1cc12444g

文献信息

• [EN] PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH<br/>[FR] DÉRIVÉS DE PYRAZOLE UTILES COMME INHIBITEURS DE FAAH
  申请人：MERCK & CO INC

  公开号：WO2009151991A1

  公开（公告）日：2009-12-17

  The present invention is directed to certain imidazole derivatives which are useful as inhibitors of Fatty Acid Amide Hydrolase (FAAH). The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including osteoarthritis, rheumatoid arthritis, diabetic neuropathy, postherpetic neuralgia, skeletomuscular pain, and fibromyalgia, as well as acute pain, migraine, sleep disorder, Alzheimer disease, and Parkinson's disease

  本发明涉及某些咪唑衍生物，其可用作脂肪酰胺水解酶（FAAH）的抑制剂。该发明还涉及包含这些化合物作为活性成分的药物配方，以及这些化合物及其配方在治疗某些疾病中的使用，包括骨关节炎、类风湿性关节炎、糖尿病神经病变、带状疱疹后神经痛、骨骼肌肉疼痛和纤维肌痛，以及急性疼痛、偏头痛、睡眠障碍、阿尔茨海默病和帕金森病。
• SUBSTITUTED 4-PYRIDONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY
  申请人：OOST Thorsten

  公开号：US20140057916A1

  公开（公告）日：2014-02-27

  This invention relates to substituted 4-pyridones of formula 1 and their use as inhibitors of neutrophil elastase activity, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment and/or prevention of pulmonary, gastrointestinal and genitourinary diseases, inflammatory diseases of the skin and the eye and other auto-immune and allergic disorders, allograft rejection, and oncological diseases.

  这项发明涉及式1的取代4-吡啶酮及其作为中性粒细胞弹性蛋白酶活性抑制剂的用途，包含这些化合物的药物组合物，以及将其用作治疗和/或预防肺部、胃肠道和泌尿系统疾病、皮肤和眼睛的炎症性疾病以及其他自身免疫和过敏性疾病、移植物排斥反应和肿瘤性疾病的药剂的方法。
• [EN] SUBSTITUTED QUINAZOLINES AS FUNGICIDES<br/>[FR] QUINAZOLINES SUBSTITUÉES, UTILISÉES EN TANT QUE FONGICIDES
  申请人：SYNGENTA PARTICIPATIONS AG

  公开号：WO2010136475A1

  公开（公告）日：2010-12-02

  The present invention relates to a compound of formula (I) wherein wherein the substituents have the definitions as defined in claim 1or a salt or a N-oxide thereof, their use and methods for the control and/or prevention of microbial infection, particularly fungal infection, in plants and to processes for the preparation of these compounds.

  本发明涉及一种具有如下式（I）的化合物，其中取代基具有权利要求1中定义的定义，或其盐或N-氧化物，它们的用途以及用于控制和/或预防植物中微生物感染，特别是真菌感染的方法，以及制备这些化合物的方法。
• A mild and efficient rhenium-catalyzed transfer hydrogenation of terminal olefins using alcoholysis of amine–borane adducts as a reducing system
  作者：Hailin Dong、Heinz Berke

  DOI：10.1016/j.jorganchem.2011.01.027

  日期：2011.5

  mantane) catalyzes the alcoholysis of ammonia–borane and amine–boranes and the catalytic transfer hydrogenations of various terminal olefins. Excellent yields were achieved at 70 °C in isopropanol using tBuOK as a co-catalyst affording TOF values up to 396 h−1.

  [ReBr 2（NO）（CH 3 CN）（PTA）2 ]（PTA = 1，3，5-三氮杂-7-磷金刚烷）催化氨-硼烷和胺-硼烷的醇解以及各种末端的催化转移加氢反应烯烃。使用t BuOK作为助催化剂，在70°C的异丙醇中获得优异的收率，TOF值高达396 h -1。
• Biphasic copper-catalyzed C–H bond activation of arylalkanes to ketones with tert-butyl hydroperoxide in water at room temperature
  作者：Md. Munkir Hossain、Shin-Guang Shyu

  DOI：10.1016/j.tet.2016.05.066

  日期：2016.7

  A facile C–H bond activation of arylalkanes to their corresponding ketones catalyzed by copper salts using tert-butyl hydroperoxide as an oxidant in water at room temperature is described. Easy product separation, simple reaction procedures (without using base or phase transfer catalysis), and catalyst recycling make the catalytic system attractive. It is also active beyond activated benzylic methylene

  描述了在室温下水中叔丁基过氧化氢作为氧化剂，通过铜盐催化的芳基烷烃轻松实现C–H键与相应酮的活化反应。容易的产品分离，简单的反应程序（不使用碱或相转移催化）和催化剂循环利用，使催化体系具有吸引力。它在活化的苄基亚甲基位置以外也具有活性，并且可以耐受具有不同基团的派系化芳基烷烃。

表征谱图