4-Amino-2-trifluoromethylbenzonitrile 4-氨基-2-三氟甲基苯甲腈

CAS 654-70-6 MFCD00042155

化学结构图

654-70-6
SMILES: N#Cc1ccc(N)cc1C(F)(F)F

化学属性

Mol. FormulaC8H5F3N2
Mol. Weight186.13
Melting Point141-145°C
Density1.37
TSCANo
Appearance 类白色结晶
Boiling Point294.5°C at 760 mmHg

别名和识别编码

Chemical Name4-Amino-2-trifluoromethylbenzonitrile
CAS Number654-70-6
Alfabeta NameAMINOCYANOBENZOTRIFLUORIDE 52---
MDL NumberMFCD00042155
Synonym 2-Trifluoromethyl-4-aminobenzonitrile {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Trifluoromethyl-4-aminobenzonitrile {} {} {} {} {} {} {} {} {} {}
EC Number000-000-0
Beilstein Registry Number3278074
PubChem Substance ID522170
Reaxys-RN3278074
Chemical Name Translation4-氨基-2-三氟甲基苯甲腈
LabNetwork Molecule IDLN00115992
InChIInChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
Canonical SMILESN#CC1=CC=C(N)C=C1C(F)(F)F
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分类

  • Intermediates
  • Aromatics
  • Amines
  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

产品应用

  • Used for the preparation of benzene derivatives as non-steroidal androgen receptor modulators.

相关文献及参考

  • Xiao, H.-Y., et al.: Bioorg. Med. Chem. Lett., 20, 4491 (2010),
  • Beilstein:14(4)1349

安全信息

Warnings TOXIC
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • 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
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
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。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P312
  • P302+P350
  • P302+P352
  • P304+P340
  • P304+P340+P311
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
  • 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
  • P333+P313
  • P337+P313
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • 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
  • 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.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Packing GroupIII
UN Number 3439 UN3439
Hazard Codes Xn Xn,T
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

  • 4-氨基-2-三氟甲基苯甲腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1213 5-氨基-2-氰基三氟甲基苯 5-Amino-2-cyanobenzotrifluoride 1G 649元 2014/06/02 A1213 5-氨基-2-氰基三氟甲基苯 5-Amino-2-cyanobenzotrifluoride 5G 1920元 2010/06/21 RDR03702DA 4-氨基-2-三氟甲基苯甲腈 4-amino-2-(trifluoromethyl)benzonitrile 1 GR 315元
  • Alfa Aesar:4-氨基-2-(三氟甲基)苯甲腈,97% 4-Amino-2-(trifluoromethyl)benzonitrile, 97%(654-70-6)
  • 图谱信息:4-氨基-2-三氟甲基苯甲腈(654-70-6)核磁图( 13 CNMR) 4-氨基-2-三氟甲基苯甲腈(654-70-6)质谱(MS) 4-氨基-2-三氟甲基苯甲腈(654-70-6)红外图谱(IR2) 4-氨基-2-三氟甲基苯甲腈(654-70-6)红外图谱(IR1) 4-氨基-2-三氟甲基苯甲腈(654-70-6)核磁图( 1 HNMR)
  • Acros Organics:4-amino-2-(trifluoromethyl)benzonitrile(654-70-6)
  • Hazard Note:Toxic
  • Sigma Aldrich:654-70-6(sigmaaldrich)
  • TCI Shanghai:4-氨基-2-三氟甲基苯甲腈 5-Amino-2-cyanobenzotrifluoride,>;98.0%(GC)(654-70-6)
  • MSDS 信息:4-Amino-2-(trifluoromethyl)benzonitrile(654-70-6).msds
  • 用途一:用作药物比卡鲁胺中间体
  • MOL 文件:654-70-6.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Fluorinated Building Blocks 氟化物砌块
  4. Organic Fluorinated Building Blocks - Fluorinated Building Blocks
  5. Trifluoromethyl 三氟甲基
  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. Cyanides/Nitriles - Nitrogen Compounds
  6. C8 to C9 - Cyanides/Nitriles
  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
  1. Materials Science 材料科学
  2. Building Blocks for Liquid Crystals