4-Chloro-2-(trifluoromethyl)aniline 2-氨基-5-氯三氟甲苯

CAS 445-03-4 MFCD00007841

化学结构图

445-03-4
SMILES: Nc1ccc(Cl)cc1C(F)(F)F

化学属性

Mol. FormulaC7H5ClF3N
Mol. Weight195.57
Boiling Point266.1°C at 760 mmHg
Melting Point8.8°C
TSCAT
Refractive index1.5060 to 1.5090
Density1.386
Flash Point114.7°C
Appearance 1.5070，相对密度 1.386，溶于有机溶剂，难溶于水。 D 2-氨基-5-氯-三氟甲基苯是无色液体，b.p.66～67℃/400pa，n 20

别名和识别编码

Chemical Name4-Chloro-2-(trifluoromethyl)aniline
CAS Number445-03-4
Alfabeta NameAMINOCHLOROBENZOTRIFLUORIDE 25---
MDL NumberMFCD00007841
Synonym 4-Chloro-2-(trifluoromethyl)aniline {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-2-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {}
PubChem Substance ID67961
EC Number207-151-3
Reaxys-RN2366801
Beilstein Registry Number2366801
Chemical Name Translation2-氨基-5-氯三氟甲苯
InChIKeyCVINWVPRKDIGLL-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009700
InChIInChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
Canonical SMILESNC1=CC=C(Cl)C=C1C(F)(F)F
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分类

  • {Chemicalbook} 农药中间体: 杀菌剂中间体: 三唑类杀菌剂
  • Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 该品是合成含氟除草剂和医药、染料的重要中间体。

相关文献及参考

  • Short: III/35D2
  • Short: III/20b
  • Beilstein:12(3)1921

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany2
Hazard Codes 6.1 Xn Xn,Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P312
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
UN Number 2810 UN 2810 UN2810
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R33 Danger of cumulative effects 有累积作用的危险
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Packing GroupIII
Hazard Class6.1
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 上游原料:氯化钠 --> 氯 --> 三氟甲苯 --> 间氯三氟甲苯
  • 用途四:该品是合成含氟除草剂和医药、染料的重要中间体。
  • 图谱信息:2-氨基-5-氯三氟甲苯(445-03-4)质谱(MS) 2-氨基-5-氯三氟甲苯(445-03-4)核磁图( 13 CNMR) 2-氨基-5-氯三氟甲苯(445-03-4)核磁图( 1 HNMR) 2-氨基-5-氯三氟甲苯(445-03-4)红外图谱(IR1)
  • MSDS 信息:2-Amino-5-chlorobenzotrifluoride(445-03-4).msds
  • Acros Organics:2-氨基-5-氯三氟甲苯/4-氯-2-三氟甲基苯胺 2-Amino-5-chlorobenzotrifluoride, 97%(445-03-4)
  • 下游产品:2-氨基-5-氟三氟甲苯 --> 酸性红2BS
  • MOL 文件:445-03-4.mol
  • 用途一:用作染料中间体
  • Hazard Note:Irritant
  • 用途三:2-氨基-5-氯-三氟甲基苯又称2-三氟甲基-4-氯苯胺，是杀菌剂氟菌唑的中间体。
  • Sigma Aldrich:445-03-4(sigmaaldrich)
  • Alfa Aesar:2-氨基-5-氯三氟甲苯,97% 4-Chloro-2-(trifluoromethyl)aniline, 97%(445-03-4)
  • TCI Shanghai:4-氯-2-三氟甲基苯胺 2-Amino-5-chlorobenzotrifluoride,>;90.0%(GC)(445-03-4)
  • 方法二:其制备方法是以2-氨基三氟甲基苯与乙酰氯反应将氨基保护，然后用氯气在催化剂存在下苯环氯化然后水解得产品。
  • 方法一:以间氯三氟甲苯为原料，经硝化、还原制得。。 在硝化锅中加入 800L 硫酸-水合物、800kg 间氯三氟甲苯，于 10℃以内缓慢加入 576L 混酸 (30%HNO3 和 70%H2SO4)，于 8-10h 加完，继续搅拌几小时。分出膏状物产品。 将膏状物加入到 3000L 水和 100kg 冰中，升温至 25-30℃，静置分出稀酸，再用 25℃水洗两次，10-20L 氢氧化钠溶液洗涤一次。降温 (约 2-3℃) 产生固体粒子。随后小心操作，分出未固化油层 (异构体)，得硝化产物约 810-815kg。 于还原锅中加入 60L 水、86kg 食盐、150kg 铁粉，升温至 85℃，搅拌下缓慢加入 150kg 硝化产物 (约 5h 内加完)，于 85-90℃放置过夜。然后水蒸气蒸馏，蒸出胺水混合物 (水:胺=1:4)，约得胺 98.6kg。
  • 用途二:大红色基 VD 主要用于棉布的染色和印花，也用于染黏胶纤维。与色酚 AS、AS-E 偶合得鲜艳的黄光红色，日晒牢度优良。本品偶合能力强，偶合速度慢。印花时常用色酚 AS、AS-D 打底直接印花；或与色酚 AS、AS-D 在棉布上染红色，作拔染印花的地色。
  • 2-氨基-5-氯三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1058 2-氨基-5-氯三氟甲苯 2-Amino-5-chlorobenzotrifluoride 500G 4540元 2014/06/02 A1058 2-氨基-5-氯三氟甲苯 2-Amino-5-chlorobenzotrifluoride 25G 541元 2010/06/21 203240250 2-氨基-5-氯三氟甲苯 2-Amino-5-chlorobenzotrifluoride 97% 25 GR 520元
  • TSCA:T

系列性分类

  1. C7 - Amines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  1. C10 to C11 - Amines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物

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