3-Chloro-4-(trifluoromethyl)aniline 3-氯-4-三氟甲基苯胺

CAS 445-13-6 MFCD00278479

化学结构图

445-13-6
SMILES: Nc1ccc(C(F)(F)F)c(Cl)c1

化学属性

Mol. FormulaC7H5ClF3N
Mol. Weight195.57
TSCANo
Boiling Point242.8°C at 760 mmHg
Flash Point100.6±27.3°C

别名和识别编码

Chemical Name3-Chloro-4-(trifluoromethyl)aniline
CAS Number445-13-6
Alfabeta NameAMINOCHLOROBENZOTRIFLUORIDE 42---
MDL NumberMFCD00278479
Synonym 3-Chloro-4-(trifluoromethyl)aniline {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl)aniline {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-4-(trifluoromethyl
EC Number207-152-9
Chemical Name Translation3-氯-4-三氟甲基苯胺
InChIKeyKZAMRRANXJVDCD-UHFFFAOYSA-N
LabNetwork Molecule IDLN00009581
PubChem Substance ID67962
InChIInChI=1S/C7H5ClF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
Canonical SMILESNC1=CC=C(C(F)(F)F)C(Cl)=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

Warnings IRRITANT
Hazard Codes Xi
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；
  • 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；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • 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
Packing GroupIII
UN Number UN2810
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

  • Hazard Note:Irritant
  • MOL 文件:445-13-6.mol
  • 上游原料:乙酸乙酯 --> 乙醚 --> N,N-二甲基甲酰胺 --> 石油醚 --> 亚硝酸钠 --> 硫酸钠 --> 氯化钠 --> 碳酸氢钠 --> 钯 --> 乙腈 --> 对甲苯磺酸 --> 碘化钾 --> 硫代硫酸钠 --> 氟化钾 --> 碘化亚铜 --> 2-氯-4-硝基苯胺 --> (三氟甲基)三甲基硅烷

系列性分类

  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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