CAS 127733-46-4 (1R)-1-(2-(Trifluoromethyl)phenyl)ethylamine (HCID 2782450)

部分構造検索類似構造を探す

基本情報

CAS: 127733-46-4
標準SMILES: CC(N)c1ccccc1C(F)(F)F
InChIKey: DPLIMKBGTYIUCB-UHFFFAOYSA-N
分子式: C9H10F3N
平均分子量: 189.18 g/mol
単同位体質量: 189.07653398

概要

See also: (RS)-1-[2-(Trifluoromethyl)phenyl]ethylamine 98% (annotation moved to).

名称と識別子

優先名称: (1R)-1-(2-(Trifluoromethyl)phenyl)ethylamine
IUPAC: 1-[2-(trifluoromethyl)phenyl]ethanamine
英語名: (RS)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHYLAMINE
分子式: C9H10F3N
分子量: 189.18

名称と別名

(RS)-1-[2-(Trifluoromethyl)phenyl]ethylamine(1R)-1-[2-(trifluoromethyl)phenyl]ethylamine(Rs)-1-(2-(Trifluoromethyl)Phenyl)Ethylamine(1R)-1-(2-(Trifluoromethyl)phenyl)ethylamineRefChem:392840108-703-5692-032-2273384-78-41-(2-Trifluoromethylphenyl)ethylamine1-[2-(trifluoromethyl)phenyl]ethanamine1-(2-(Trifluoromethyl)phenyl)ethanamineMFCD04038876

名称をさらに表示

α-methyl-2-trifluoromethylbenzylaminealpha-Methyl-2-(trifluoromethyl)benzylamineα-Methyl-2-(trifluoromethyl)benzenemethanaminealpha-Methyl-2-(trifluoromethyl)benzylamine98%alpha-Methyl-2-(trifluoromethyl)benzylamine 98%(RS)-1-[2-(Trifluoromethyl)phenyl]ethylamine98%

1-(2-(trifluoromethyl)phenyl)ethan-1-amine1-[2-(trifluoromethyl)phenyl]ethan-1-amineBenzenemethanamine, a-methyl-2-(trifluoromethyl)-1-(2-(Trifluoromethyl)phenyl)ethylamine1-[2-(Trifluoromethyl)phenyl]ethylaminealpha-Methyl-2-(trifluoromethyl)benzenemethanamineMFCD03093003SCHEMBL1258401

物性

構造計算による物性

XLogP: 2.1
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 167

物理化学的性質

沸点: 68.7 · 68.7-71.1
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]