N-(3-氯苯基)氨基甲酸乙酯 | 2150-89-2

• 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: N-(3-氯苯基)氨基甲酸乙酯
• 中文别名: N-(3-氯苯基)甲烷
• 英文名称: (3-chlorophenyl) carbamic acid ethyl ester
• 英文别名: ethyl N-(3-chlorophenyl)carbamate；(3-Chlor-phenyl)-urethan；Ethyl-N-(3-chlorphenyl)-carbamat；N-3-Chlorphenylethylcarbamat；(3-Chlor-phenyl)-carbamidsaeure-aethylester；3-chloro-1-(ethoxycarbonylamino)benzene；3-Chlor-carbanilsaeure-aethylester；ethyl 3-chlorophenylcarbamate；Ethyl (3-chlorophenyl)carbamate
• CAS: 2150-89-2
• 化学式: C₉H₁₀ClNO₂
• mdl: MFCD00018429
• 分子量: 199.637
• InChiKey: LBVUCHGNHUEOFH-UHFFFAOYSA-N

物化性质

• 沸点：
  239℃
• 密度：
  1.268
• 闪点：
  98℃
• 保留指数：
  1579;1583;1586

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2924299090
• 储存条件：
  室温且干燥

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Ethyl 3-chlorophenylcarbamate
CAS-No. : 2150-89-2
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
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram none
Signal word none
Hazard statement(s) none
Precautionary statement(s) none
Supplemental Hazard none
Statements
The following percentage of the mixture consists of ingredient(s) with unknown acute toxicity: 100 %
Caution - substance not yet tested completely.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C9H10ClNO2
Molecular Weight : 199,64 g/mol

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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
Flush eyes with water as a precaution.
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
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, nitrogen oxides (NOx), 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 dust formation. Avoid breathing vapors, mist or gas. Avoid
breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. 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
Avoid formation of dust and aerosols.
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
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
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 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- log Pow: 2,971
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
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
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
Specific target organ toxicity - single exposure
Specific target organ toxicity - repeated exposure
Aspiration hazard
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
Mobility in soil
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. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
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

反应信息

• 作为反应物：
  描述：

  N-(3-氯苯基)氨基甲酸乙酯 在 硫酸 、 硝酸 作用下， 生成 3-氯-2,6-二硝基-苯胺
  参考文献：
  名称：

  de Monchy, Recueil des Travaux Chimiques des Pays-Bas, 1934, vol. 53, p. 141,149,156

  摘要：

  DOI：
• 作为产物：
  描述：

  氯甲酸乙酯 、 3-氯苯胺 在 吡啶 作用下， 生成 N-(3-氯苯基)氨基甲酸乙酯
  参考文献：
  名称：

  异噻唑基恶唑烷酮类化合物和类似的3（2H）-异噻唑啉酮的合成及抑菌活性

  摘要：

  几种新的5-（（3-oxoisothiazol-2（3H）-yl）methyl）-3-phenyloxazolidin-2-ones 8和类似的2-（4-取代苯基）-3（2H）-的合成及抗菌活性描述了在苯基部分的4和/或3位被不同基团取代的异噻唑酮3和4，其中一些已显示出增加3-芳基-2-恶唑烷酮和3（2H）-异噻唑酮的抗菌活性。活性最高的化合物是异噻唑基恶唑烷酮8a，未取代的j和8b具有4-F取代苯环的化合物，对某​​些测试的微生物显示出比类似的3（2H）-异噻唑酮更高的活性，并且与利奈唑胺，万古霉素和环丙沙星具有可比或更高的活性。F的位置变化和/或使用较大的取代基使化合物的活性降低或没有活性。对小鼠成纤维细胞（NIH / 3T3）细胞的细胞毒性评估表明，这些化合物在非细胞毒性浓度下具有抗菌活性。

  DOI：

  10.1016/j.ejmech.2009.09.019

文献信息

• 铜催化保护邻硝基苯胺类化合物的合成方法
  申请人：南京理工大学

  公开号：CN107915663A

  公开（公告）日：2018-04-17

  本发明公开了一种铜催化保护邻硝基苯胺类化合物的合成方法，其步骤为：（1）以保护苯胺类化合物为原料，氧化性气体为氧化剂，氯化铜、硫酸铜和硝酸铜任意一种为催化剂，亚硝酸叔丁酯为硝化剂，在80~100℃下，在一定量的反应溶剂中发生反应；（2）将得到的反应液用有机溶剂萃取，液体减压蒸馏得到产物，固体经重结晶或硅胶柱纯化得到目标产物。本发明方法制备工艺技术简单，反应条件温和，产率高，环境友好。
• Cyanomethyl Anion/Carbon Dioxide System:  An Electrogenerated Carboxylating Reagent. Synthesis of Carbamates under Mild and Safe Conditions
  作者：Marta Feroci、Maria Antonietta Casadei、Monica Orsini、Laura Palombi、Achille Inesi

  DOI：10.1021/jo0266036

  日期：2003.2.1

  A new carboxylating reagent ((-)CH(2)CN/CO(2)) was obtained by bubbling CO(2) in a CH(3)CN-TEAP (tetraethylammonium perchlorate) solution previously electrolyzed under galvanostatic control. Organic carbamates were isolated from these solutions after addition of amines and an alkylating agent. In this paper, we describe the optimized conditions for the electrochemical synthesis of carbamates from amines

  通过将CO（2）鼓泡到先前在恒电流控制下电解的CH（3）CN-TEAP（高氯酸四乙铵）溶液中，获得一种新的羧化试剂（（-）CH（2）CN / CO（2））。加入胺和烷基化剂后，从这些溶液中分离出有机氨基甲酸酯。在本文中，我们描述了在温和且安全的条件下，不添加任何碱，前碱或催化剂的情况下，从胺和CO（2）电化学合成氨基甲酸酯的最佳条件。从伯胺和仲脂族胺中以高产率至优异产率分离氨基甲酸酯，从芳族胺中以中等产率分离氨基甲酸酯（取决于氮原子的亲核性）。
• A Simple Method for the Synthesis of Carbamates
  作者：Enrique Angeles、Abraham Santillán、Ignacio Martínez、Alberto Ramírez、Enrique Moreno、Manuel Salmón、Roberto Martínez

  DOI：10.1080/00397919408010552

  日期：1994.9

  Abstract A new method for carbamate synthesis using aryl and alkylamines with sodium hydride and diethylcarbonate in dry benzene is described.

  摘要 描述了一种使用芳基和烷基胺与氢化钠和碳酸二乙酯在无水苯中合成氨基甲酸酯的新方法。
• The reaction of amines with an electrogenerated base. Improved synthesis of arylcarbamic esters
  作者：Marta Feroci、Achille Inesi、Leucio Rossi

  DOI：10.1016/s0040-4039(99)02180-2

  日期：2000.2

  The electrogenerated base of 2-pyrrolidone reacts with amines and anilines yielding the corresponding alkyl and aryl carbamates, after addition of carbon dioxide and ethyl iodide. Arylcarbamic esters are obtained in very good yields under mild reaction conditions with respect to the methods so far reported.

  加入二氧化碳和碘乙烷后，2-吡咯烷酮的电生成的碱与胺和苯胺反应，生成相应的氨基甲酸烷基酯和芳基氨基甲酸酯。相对于迄今为止报道的方法，在温和的反应条件下以非常高的收率获得了芳基氨基甲酸酯。
• Benzimidazolidinone derivatives
  申请人：——

  公开号：US20040142850A1

  公开（公告）日：2004-07-22

  The present invention can provide novel compounds useful as orally administrable growth hormone releaser, more specifically a benzimidazolidinone derivative of formula (1) or a pharmaceutically acceptable salt thereof: (1) wherein R 1 is optionally substituted alkyl or the like; R 2 , R 3 and R 4 are each hydrogen, optionally substituted alkyl, or the like; R 5 is optionally substituted aryl; q is 0 or 1; and W 1 is a group represented by formula (2): (2) n is 1, 2 or 3; m is 0, 1, 2 or 3; R 6 and R 7 are each hydrogen, optionally substituted alkyl, or the like; and R 8 and R 9 are each hydrogen, optionally substituted alkyl, or the like. 1

  本发明可以提供一种新型化合物，作为口服生长激素释放剂有用，更具体地说，是公式（1）的苯并咪唑啉酮衍生物或其药学上可接受的盐：（1）其中，R1是可选的取代烷基或类似物；R2、R3和R4分别是氢、可选的取代烷基或类似物；R5是可选的取代芳基；q为0或1；W1是由公式（2）表示的基团：（2）n为1、2或3；m为0、1、2或3；R6和R7分别是氢、可选的取代烷基或类似物；R8和R9分别是氢、可选的取代烷基或类似物。

表征谱图