4-(Trifluoromethyl)aniline 对三氟甲基苯胺

CAS 455-14-1 MFCD00064396

化学结构图

455-14-1
SMILES: Nc1ccc(C(F)(F)F)cc1

化学属性

Mol. FormulaC7H6F3N
Mol. Weight161.12
Boiling Point190°C at 760 mmHg
TSCAYes
Melting Point3-8°C
Refractive index1.4820 to 1.4850
Density1.283
Flash Point87°C
Solubility<0.1 G/100 ML
Appearance 1.4840，相对密度 1.2830，难溶于水，易溶于有机溶剂。 D 本品为无色液体，m.p.38℃，b.p.117.5℃/8 kpa(83℃/1.6 kpa)，n 20

别名和识别编码

Chemical Name4-(Trifluoromethyl)aniline
CAS Number455-14-1
Alfabeta NameAMINOBENZOTRIFLUORIDE 4-
MDL NumberMFCD00064396
Synonym 4-(Trifluoromethyl)aniline {LY} 4-(Trifluoromethyl)aniline {} {LY} 4-(Trifluoromethyl)aniline {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87562224
EC Number207-236-5
Beilstein Registry Number12(3)2151
Reaxys-RN1564853
Chemical Name Translation对三氟甲基苯胺
Wiswesser Line NotationZR CXFFF
LabNetwork Molecule IDLN00225161
InChIInChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
Canonical SMILESNC1=CC=C(C(F)(F)F)C=C1
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分类

  • Mutagenesis Research Chemicals
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds,
  • {Chemicalbook} 农药中间体: 杀虫剂中间体: 拟除虫菊酯类杀虫剂
  • {SNA} Analytical Standards, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards, USP Standards L - M, 分析/色谱
  • Amines
  • {SNA} Analytical Standards, Pharmacopeia & Metrological Institutes Standards, USP Standards, USP Standards L - M, 分析/色谱
  • {SNA} Amines,
  • Aromatics
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards, Pharmacopeia Standards, USP Standards, USP Standards L - M
  • {SNA} Amines,

产品应用

  • 用于医药、染料、农药中间体。

相关文献及参考

  • Short: III/35D2
  • Beil. 12 ,IV,1982
  • As with 2-(Trifluoromethyl)­aniline, A15072, the CF3 group promotes ionization of the amino group under basic conditions. Sodamide in liquid ammonia gives 4-aminobenzonitrile: Chem. Pharm. Bull., 23, 636 (1975).
  • Weber, W., et al.: Pharmacol. Rev., 37, 25 (1985),
  • Similarly, the CF3 group is activated towards nucleophiles. For use in the synthesis of 2-(4-aminophenyl)-substituted imidazolines and tetrahydropyrimidines, see: J. Heterocycl. Chem., 27, 803 (1990).
  • Beilstein:12(3)2151

安全信息

Warnings IRRITANT, TOXIC
GHS Symbol
WGK Germany3
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H301 Toxic if swallowed 吞食有毒
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T,N,Xi,Xn Xn T,N
RTECSXU9260000
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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+P310
  • P301+P310+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P337+P313
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • 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；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36 Irritating to eyes 刺激眼睛
  • R50/53
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R33 Danger of cumulative effects 有累积作用的危险
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
UN Number 2810 UN2810
Packing GroupIII
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 101 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 17,900,1974

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 mg/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,803,1983

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 mg/L
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,803,1983

其他信息

  • 用途三:对三氟甲基苯胺是重要的医药、农药中间体，可以制备氟胺氰菊酯、氟虫腈、氟幼脲等农药。
  • ，遇光后呈红棕色,能与乙醇、乙醚混溶,不溶于水，水中溶解度：<0.1g/100mL。
  • TCI Shanghai:4-三氟甲基苯胺 4-Aminobenzotrifluoride,>;98.0%(GC)(455-14-1)
  • 存储注意事项:湿度敏感;氮气保护
  • 图谱信息:对三氟甲基苯胺(455-14-1)红外图谱(IR1) 对三氟甲基苯胺(455-14-1)质谱(MS) 对三氟甲基苯胺(455-14-1)红外图谱(IR2)
  • 对三氟甲基苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 A0662 4-氨基三氟甲苯 4-Aminobenzotrifluoride 25ML 971元 2011/04/16 A0662 4-氨基三氟甲苯 4-Aminobenzotrifluoride 500ML 7750元 2010/06/21 208910100 对三氟甲基苯胺 4-Ami
  • Hazard Note:Toxic/Irritant
  • 下游产品:2-氯-4-(三氟甲基)苯磺酰氯 --> 4-三氟甲基-N-甲基苯胺 --> 来氟米特 --> 4-羟基-6-三氟甲基喹啉-3-甲酸乙酯 --> 2,6-双(三氟甲基)-4-羟基喹啉 --> 2,6-二氯-4-三氟甲基苯胺
  • TSCA:T
  • 方法一:其制备方法有以下几种。 对硝基甲苯为原料法 以对硝基甲苯为原料与溴进行溴化反应，生成对二溴甲基硝基苯，再用次溴酸钠溴化，生成对三溴甲基硝基苯，再用三氟化锑氟化，然后用二氯化锡还原，得对三氟甲基苯胺。 该方法是经典方法，所用原料易得，但溴化需用溴较多，且仅是中间过渡，还要用SbF 3 氟化，SnCl 2 还原，工艺复杂，三废较多，这业化困难。如果能用氯化代替溴化，用HF进行氟化，常规的还原方法进行还原，就有一定的工业意义了。 对氯三氟甲苯为原料法 对氯三氟甲苯和氨在高压和高温下(150～240℃)进行反应，生成对三氟甲基苯胺。虽对氯三氟甲苯已是工业化商品，但氨解的条件较苛刻，工业化有一定难度。 对三氯甲基苯异氰酸酯为原料法 以对三氯甲基苯异氰酸酯与氟化氢反应生成对三氟甲基苯胺氢氟酸盐，再与碱反应即得。 该方法是国外近年来开发的方法，而对三氯甲基苯异氰酸酯可以用对甲基苯胺为原料，通光气可生成对三氯甲基氯甲酰苯胺，进一步生成对三氯甲基苯异氰酸酯。
  • Acros Organics:4-(三氟甲基)苯胺 4-Aminobenzotrifluoride, 99%(455-14-1)
  • Sigma Aldrich:
  • 海关编码:29214300
  • Alfa Aesar:4-三氟甲基苯胺,98+% 4-(Trifluoromethyl)aniline, 98+%(455-14-1)
  • MSDS 信息:4-(Trifluoromethyl)aniline(455-14-1).msds
  • 对三氟甲基苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0662 4-氨基三氟甲苯 4-Aminobenzotrifluoride 25ML 908元 2014/06/02 A0662 4-氨基三氟甲苯 4-Aminobenzotrifluoride 500ML
  • 对三氟甲基苯胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0662 4-氨基三氟甲苯 4-Aminobenzotrifluoride 25ML 908元 2014/06/02 A0662 4-氨基三氟甲苯 4-Aminobenzotrifluoride
  • 上游原料:氢氟酸 --> 4-氯苯甲醛 --> 光气(无法供) --> 溴化钠 --> 4-硝基甲苯 --> 氯化亚锡,无水 --> 对甲苯胺 --> 三氯化苄 --> 异氰酸苯酯 --> 对氯三氟甲苯 --> N-苯基甲酰胺 --> 次溴酸钠 --> 甲基硝基苯
  • 用途一:用作医药、染料、农药中间体
  • {Chemicalboo

系列性分类

  1. C7 - Amines
  1. C10 to C11 - Amines
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Amines 胺
  6. C2 to C6

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