109-54-6

• 常用中文名：3-氯-1-(N,N-二甲基)丙胺
• 常用英文名：3-Chloro-N,N-dimethylpropan-1-amine
• CAS号：109-54-6
• 分子式：C₅H₁₂ClN
• 分子量：121.608
• 相关类别： 有机原料 氨基化合物 无环单胺、多胺及其衍生物和盐
• 发布时间：2018-03-11 08:00:00
• 更新时间：2024-01-02 17:17:02
• 【用途一】
  氯丙嗪、炎痛静、泰尔登、丙咪嗪、多虑平、阿米替丁的中间体。

名称

• 中文名: N,N-二甲基-3-氯丙胺
• 英文名: 3-Chloro-N,N-dimethylpropan-1-amine
• 中文别名: 3-氯-1-(N,N-二甲基)丙胺; 3-(二甲氨基)氯丙烷; 3-氯-1-(N,N-二甲基)丙胺 盐酸盐; 二甲氨基丙基氯
• 英文别名: 1-Propanamine, 3-chloro-N,N-dimethyl-; N-(3-Chloropropyl)-N,N-dimethylamine; MFCD00044496; 3-chloro-N,N-dimethylpropan-1-amine; EINECS 203-679-3; 3-Chloro-N,N-dimethyl-1-propanamine

物化性质

• 密度: 0.9±0.1 g/cm3
• 沸点: 130.7±23.0 °C at 760 mmHg
• 熔点: 191-193°C
• 分子式: C₅H₁₂ClN
• 分子量: 121.608
• 闪点: 32.8±22.6 °C
• 精确质量: 121.065826
• PSA: 3.24000
• LogP: 1.05
• 蒸汽压: 9.6±0.2 mmHg at 25°C
• 折射率: 1.434
• 储存条件: 2~8℃
• 稳定性:

  有刺激性。盐酸盐为结晶，熔点142℃，吸湿，有刺激性。

• 分子结构:

  1、 摩尔折射率：33.78

  2、 摩尔体积（cm³/mol）：129.7

  3、 等张比容（90.2K）：295.2

  4、 表面张力（dyne/cm）：26.8

  5、 极化率（10-24cm3）：13.39

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.2

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:3

  5.互变异构体数量:无

  6.拓扑分子极性表面积3.2

  7.重原子数量:7

  8.表面电荷:0

  9.复杂度:37.1

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.性状：液体

  2.沸点（ºC）：140

  3.熔点（ºC）：142

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 3-Chloro-1-(N,N-dimethyl)propylamine Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:3-Chloro-1-(N,N-dimethyl)propylamine CAS number:109-54-6 Section4. 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. Section5. 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. Section6. 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. Section7. 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, refrigerated. Storage: Section8. 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. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data No data Melting point: Flash point:No data Density:No data Molecular formula:C5H12ClN Molecular weight:121.6 Section10. 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. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. 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. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. 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. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn

合成路线

5407-04-5 ~80% 109-54-6

文献：WO2007/54105 A2, ; Page/Page column 20 ;

124-40-3 109-70-6 ~% 109-54-6

文献：CH221596 , ; Helv.Engi-Festschr., <1941>215

3179-63-3 ~% 109-54-6

文献：Annales Pharmaceutiques Francaises, , vol. 4, p. 173 Chem.Abstr., , p. 5099

20904-57-8 ~% 109-54-6

文献：Chemische Berichte, , vol. 39, p. 1425

17268-49-4 ~% 109-54-6

文献：J. Gen. Chem. USSR (Engl. Transl.), , vol. 32, p. 439 - 445,432 - 438

30340-95-5 ~% 109-54-6

文献：Journal of Organic Chemistry USSR (English Translation), , vol. 6, # 10 p. 2035 - 2037 Zhurnal Organicheskoi Khimii, , vol. 6, # 10 p. 2026 - 2028

926-63-6 67-66-3 7782-50-5 ~% 108-14-5 详细

文献：Journal of the American Chemical Society, , vol. 73, p. 1494,1497

7647-01-0 20904-57-8 ~% 109-54-6 108-95-2

文献：Chemische Berichte, , vol. 39, p. 1425

上下游产品

上游产品  10
5407-04-5 124-40-3 109-70-6 3179-63-3
20904-57-8 17268-49-4 30340-95-5 926-63-6
67-66-3 7782-50-5
下游产品  10
10404-34-9 3529-10-0 50-53-3 19607-03-5
63615-79-2 18029-54-4 50-49-7 91430-80-7
3926-64-5 5118-29-6

制备

可用1,3-氯溴丙烷以二甲胺胺化制得；或可用丙烯醇先与二甲胺加成，生成3-二甲氨基丙醇，然后以氯化亚硫酰氯化制取。