3-氯-N,2-二甲基苯胺盐酸盐 | 957062-82-7

• 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: 3-氯-N,2-二甲基苯胺盐酸盐
• 英文名称: 3-chloro-N,2-dimethylaniline monohydrochloride
• 英文别名: 3-chloro-N,2-dimethylaniline hydrochloride；3-chloro-N,2-dimethylaniline;hydrochloride
• CAS: 957062-82-7
• 化学式: C₈H₁₀ClN*ClH
• 分子量: 192.088
• InChiKey: HBPRPSKNUFNRKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  11
• 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：
  12
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2921430090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chloro-N,2-dimethylaniline, HCl
Synonyms: N-Methyl 3-chloro-2-methylaniline, HCl

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Chloro-N,2-dimethylaniline, HCl
CAS number: 957062-82-7

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C8H11Cl2N
Molecular weight: 192.1

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-{2-[6-(bromomethyl)-3,5-dichloro-2-oxopyridin-1(2H)-yl]ethyl}benzoate 、 3-氯-N,2-二甲基苯胺盐酸盐 在 N,N-二异丙基乙胺 、 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 5.0h， 生成 tert-butyl 4-{2-[3,5-dichloro-6-{[(3-chloro-2-methylphenyl)(methyl)amino]methyl}-2-oxopyridin-1(2H)-yl]ethyl}benzoate
  参考文献：
  名称：

  EP2301922

  摘要：

  公开号：

文献信息

• PYRIDONE COMPOUNDS
  申请人：Kamikubo Takashi

  公开号：US20110082133A1

  公开（公告）日：2011-04-07

  [Problems] A useful compound which can be used as a pharmaceutical, in particular, an agent for treating peripheral arterial occlusive disease is provided. [Means for Solution] The present inventors have conducted extensive studies on EP4 receptor agonists, and as a result, have found that a novel pyridone compound, in which a group having an acidic group is substituted at the 1-position of the pyridone ring, the 6-position is bonded with an aromatic ring group via a linking part, and the linking part contains a nitrogen atom, has an excellent EP4 receptor agonistic action, thereby completing the present invention. Since the compound of the present invention has an excellent EP4 receptor agonistic action, it is useful as a pharmaceutical, in particular, as an agent for treating peripheral arterial occlusive disease.

  [问题] 提供了一种有用的化合物，可以用作药物，特别是用于治疗外周动脉闭塞病的药物。 [解决方法] 现有发明人对EP4受体激动剂进行了广泛的研究，结果发现，一种新的吡啶酮化合物，在其1位取代了一个含有酸性基团的基团，在6位通过连接部分与芳香环基团结合，连接部分含有一个氮原子，具有出色的EP4受体激动作用，从而完成了本发明。由于本发明的化合物具有出色的EP4受体激动作用，因此它可用作药物，特别是作为治疗外周动脉闭塞病的药物。
• PYRIDONE COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：EP2301922A1

  公开（公告）日：2011-03-30

  [Problems] A useful compound which can be used as a pharmaceutical, in particular, an agent for treating peripheral arterial occlusive disease is provided. [Means for Solution] The present inventors have conducted extensive studies on EP4 receptor agonists, and as a result, have found that a novel pyridone compound, in which a group having an acidic group is substituted at the 1-position of the pyridone ring, the 6-position is bonded with an aromatic ring group via a linking part, and the linking part contains a nitrogen atom, has an excellent EP4 receptor agonistic action, thereby completing the present invention. Since the compound of the present invention has an excellent EP4 receptor agonistic action, it is useful as a pharmaceutical, in particular, as an agent for treating peripheral arterial occlusive disease.

  [问题]本发明提供了一种可用作药物的有用化合物，特别是治疗外周动脉闭塞性疾病的药物。 [解决方法]本发明人对 EP4 受体激动剂进行了广泛的研究，结果发现了一种新型吡啶酮化合物，其中具有酸性基团的基团在吡啶酮环的 1 位被取代，6 位通过连接部分与芳香环基团键合，连接部分含有氮原子，该化合物具有优异的 EP4 受体激动作用，从而完成了本发明。由于本发明的化合物具有极佳的 EP4 受体激动作用，因此可用作药物，尤其是治疗外周动脉闭塞性疾病的药物。
• EP2301922
  申请人：——

  公开号：——

  公开（公告）日：——