51332-24-2

• 常用中文名：4-溴-N,N-二甲基-3-三氟甲基苯胺
• 常用英文名：4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
• CAS号：51332-24-2
• 分子式：C₉H₉BrF₃N
• 分子量：268.07400
• 发布时间：2018-10-08 17:16:22
• 更新时间：2025-08-25 18:17:28

• 用途用于有机合成。

名称

• 中文名: 4-溴-N,N-二甲基-3-三氟甲基苯胺
• 英文名: 4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline
• 中文别名: 4-溴-N,N-二甲基-3-(三氟甲基)苯胺; 4-溴-N，N-二甲基-3-（三氟甲基）苯胺
• 英文别名: 4-Bromo-N,N-Dimethyl-3-(Trifluoromethyl)Aniline

物化性质

• 密度: 1.513g/cm3
• 沸点: 245.9ºC at 760 mmHg
• 熔点: 29°C
• 分子式: C₉H₉BrF₃N
• 分子量: 268.07400
• 闪点: 102.5ºC
• 精确质量: 266.98700
• PSA: 3.24000
• LogP: 3.53390
• 折射率: 1.513
• 储存条件: 室温，干燥
• 分子结构:

  1、 摩尔折射率：53.23

  2、 摩尔体积（cm³/mol）：177.1

  3、 等张比容（90.2K）：417.0

  4、 表面张力（dyne/cm）：30.7

  5、 极化率（10-24cm3）：21.10

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.6

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:1

  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:14

  8.表面电荷:0

  9.复杂度:193

  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：无色结晶。

  2熔点：29-30℃。

  2沸点：134-136℃/2kPa

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:4-Bromo-N,N-dimethyl-3-(trifluoromethyl)aniline CAS number:51332-24-2 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. 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:C9H9BrF3N Molecular weight:268.1 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 fluoride, hydrogen bromide. 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): Xi
• 海关编码: 2921430090

合成路线

393-36-2 74-88-4 ~76% 51332-24-2

文献：Fuchibe, Kohei; Mitomi, Ken; Akiyama, Takahiko Chemistry Letters, 2007 , vol. 36, # 1 p. 24 - 25

329-00-0 ~% 51332-24-2

文献：Du Pont de Nemours and Co. Patent: US2085736 , 1933 ;

98-16-8 ~% 51332-24-2

文献：Du Pont de Nemours and Co. Patent: US2085736 , 1933 ;

上下游产品

上游产品  4
393-36-2 74-88-4 329-00-0 98-16-8
下游产品  1
13261-62-6

制备

分两步反应制备,其合成路线如下:（1）选择性溴化剂四溴环己二烯酮的制备。在1L三口瓶中加入66.2g(0.2mol)2,4,6-三溴苯酚,27.2g(0.2mol)三水乙酸钠和400mL冰醋酸。搅拌温热全溶(约70℃),然后冷却至室温,在搅拌下滴入32g(0.2mol)溴素和200mL冰醋酸组成的溶液,约需1h。加毕,继续搅拌0.5h,然后倒入2kg碎冰中。冰融化后过滤,滤饼水洗后,用400~450mL氯仿加热(60℃)溶解,将上层水液用吸管分出。冷却,过滤得产品50~55g,收率61%~67%,熔点(m.p.)125~130℃。此溴化剂可直接用于下步反应。
（2）4-溴-N,N-二甲基-3-(三氟甲基)苯胺的制备。在500mL反应瓶中加入9.45g(0.05mol)N,N-二甲基-3-三氟甲基苯胺和200mL二氯甲烷,用冰-乙醇浴冷却至-10℃,在搅拌下分批加入碾碎的上述制得的溴化剂2,4,4,6-四溴-2,5-环己二烯-1-酮,共20.5g(0.05mol),每批0.5g,维持反应温度-10~0℃,加毕,撤去冷浴,室温搅拌30min,然后用2mol/L,氢氧化钠溶液50mL×2洗涤(除去三溴苯酚,此碱液酸化后,可重新回收三溴苯酚),再用水25mL洗涤、无水硫酸镁干燥,脱溶后得12~12.5g粗产物,再用V氏柱减压分馏,收集134~136℃/2kPa的
馏分,得产品11~12g,收率82%~90%。

海关

海关编码	2921430090
中文概述	2921430090 甲苯胺及其衍生物以及它们的盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 原产地证据文件及编号(例 附原产地证书, 原产于欧盟的
Summary	HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%