4-Nitro-3-(trifluoromethyl)aniline 4-硝基-3-三氟甲基苯胺

CAS 393-11-3 MFCD00014717

化学结构图

393-11-3
SMILES: Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

化学属性

Mol. FormulaC7H5F3N2O2
Mol. Weight206.12
Melting Point125-129°C
Density1.503
TSCANo
Appearance 黄色结晶
Flash Point185 °F
Boiling Point326.4°C at 760 mmHg
Solubility5 g/L (20°C)
Refractive indexn20/D 1.480(lit.)

别名和识别编码

Chemical Name4-Nitro-3-(trifluoromethyl)aniline
CAS Number393-11-3
Alfabeta NameAMINONITROBENZOTRIFLUORIDE 52---
MDL NumberMFCD00014717
Synonym 4-Nitro-3-(trifluoromethyl)aniline {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Nitro-3-(trifluoromethyl)aniline {} {} {} {} {} {}
Beilstein Registry Number2650702
PubChem Substance ID94955
EC Number206-884-6
Reaxys-RN2650702
Chemical Name Translation4-硝基-3-三氟甲基苯胺
LabNetwork Molecule IDLN00116069
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2
Canonical SMILESFC(F)(F)C1=C([N+]([O-])=O)C=CC(N)=C1
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分类

  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards N - O, Pharmaceutical Standards, Pharmacopeia Standards
  • {Chemicalbook} 农药中间体: 除草剂中间体: 取代脲类除草剂
  • {SNA} Amines, Building Blocks,
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards N - O, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • Amines, Building Blocks, C7, Chemical Synthesis, Nitrogen Compounds, Organic Building Blocks
  • {SNA} Analytical Standards, EP Standards, EP Standards N - O, Pharmacopeia Metrological Institutes Standards, 分析/色谱

产品应用

  • 4-Nitro-3-(trifluoromethyl)aniline is a metabolite of Flutamide (F598850) (FLU-1 or M2).

相关文献及参考

  • Katchen, B., et al.: J. Clin. Endocrinol. Metab., 41, 373
  • Beilstein:12(4)1862

安全信息

Warnings IRRITANT-HARMFUL
Precautionary statements
  • 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。
  • 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。
  • P302+P352+P312+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
WGK Germany2
GHS Symbol
Signal word Warning
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302+H312+H332
Hazard Codes Xn Xi Xi,T,T+ Xi,Xn
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
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
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R23 Toxic by inhalation 吸入有毒
  • R24 Toxic in contact with skin 与皮肤接触有毒
  • R26 Very toxic by inhalation 吸入极毒
  • 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
UN Number UN 2948 6.1/PG 2 UN2811
Packing GroupIII
Hazard Class6.1
RTECSXU9180000
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

  • {Chem
  • 用途二:3-三氟甲基苯胺是除草剂氟草隆、氟咯草酮和吡氟苯胺的中间体，也是医药中间体，如用于合成氟灭酸丁酯、莫尼氟酯、氟奋乃静、三氟丙嗪、氟沙伦等。
  • TCI Shanghai:3-氨基三氟甲苯 3-Aminobenzotrifluoride,>;99.0%(GC)(98-16-8)
  • 上游原料:硫酸 --> 甲苯 --> 硝酸 --> 铁粉 --> 三氟甲苯 --> 间硝基三氟甲苯 --> 间三氟甲基硝基苯
  • Hazard Note:Toxic/Irritant
  • 用途四:染料，医药和农药的重要中间体。
  • Alfa Aesar:5-氨基-2-硝基三氟甲苯,98% 4-Nitro-3-(trifluoromethyl)aniline, 98%(393-11-3)
  • TCI Shanghai:5-氨基-2-硝基三氟甲苯 5-Amino-2-ni
  • Acros Organics:5-胺基-2-三氟硝基甲苯 5-Amino-2-nitrobenzotrifluoride, 98%(393-11-3)
  • Hazard Note:Irritant
  • 5-氨基-2-硝基三氟甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0377 5-氨基-2-硝基三氟甲苯 5-Amino-2-nitrobenzotrifluoride 5G 785元 2014/06/02 A0377 5-氨基-2-硝基三氟甲苯 5-Amino-2-nitrobenzotrifluoride 25G 2670元 2010/05/25 A13798 5-氨基-2-硝基三氟甲苯, 98% 4-Nitro-3-(trifluoromethyl)aniline, 98% 5g 1058元
  • 外观性质:具有苯胺气味的无色液体,遇光变成棕色。
  • 类别:有毒物品
  • 制备间溴三氟甲苯:1.三氟甲基苯直接溴化法该方法收率为80%。原料消耗定额：三氟甲基苯（≥98%）686kg/t、溴素1142kg/t、铁粉200kg/t。2.由间氨基三氟甲苯重氮化、置换而得。搅拌下将间氨基三氟甲苯慢慢加入氢溴酸中，温度不超过50℃。冷却，加入亚硝酸钠溶液，温度控制在10℃以下，至重氮化结束。将重氮液加入煮沸的溴化亚铜和氢溴酸溶液内，并开始水蒸气
  • Acros Organics:3-氨基三氟甲苯 3-Aminobenzotrifluoride, 99+%(98-16-8)
  • 灭火剂:二氧化碳、砂土、泡沫、水
  • 方法一:其制备方法是在高压釜内依次加入间三氟甲基硝基苯、溶剂乙醇和催化剂，用氮气置换出釜内空气后开动搅拌，通入氢气，使釜内压力保持在0.1 MPa左右，温度控制在(100±5)℃，反应至不吸氢气为止，反应时间约1 h，通冷却水冷却，使釜内温度降至40℃以下，利用釜内余压出料，反应液过滤，除去催化剂，常压蒸去溶剂和水，减压蒸馏得成品。
  • Alfa Aesar:3-
  • 下游产品:氟灭酸 --> 3-(三氟甲基)异氰酸苯酯 --> 1-(3-三氟甲基苯基)哌嗪 --> 7-三氟甲基-4-硫醇喹啉 --> 7-(三氯甲基)-4-羟基喹啉 --> 间溴三氟甲苯 --> 3-苄基-3,二氢-6-(三氟甲基)-2H-1,2,4-苯并噻二嗪-7-氨基磺酰-1,1-二氧化物 --> 7-三氟甲基喹啉 --> 伏草隆 --> 氟他胺 --> 4-氯-7-三氟甲基喹啉 --> 氟咯草酮 --> 3-氨基-4-硝基三氟甲苯
  • 图谱
  • MOL 文件:98-16-8.mol
  • Sigma Aldrich:98-16-8(sigmaaldrich)
  • S
  • 蒸气压:0.3 mm Hg ( 20 °C)
  • 储运特性:库房通风低温干燥; 与食品原料分开储运
  • MSDS 信息:3-氨基三氟甲苯(98-1
  • TSCA:T

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. 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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