2-アミノ-1-[3-(トリフルオロメチル)フェニル]エタノール

2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol

HCID 30514

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 21172-28-1
標準SMILES: NCC(O)c1cccc(C(F)(F)F)c1
InChIKey: RRBRWAPWPGAJMA-UHFFFAOYSA-N
分子式: C9H10F3NO
平均分子量: 205.18 g/mol
単同位体質量: 205.0714486

名称と識別子

優先名称: 2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
IUPAC: 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
現地名: 2-アミノ-1-[3-(トリフルオロメチル)フェニル]エタノール
英語名: 2-Amino-1-[3-(trifluoromethyl)phenyl]ethanol
分子式: C9H10F3NO
分子量: 205.18

名称と別名

2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-olDTXSID009435042-amino-1-(3-(trifluoromethyl)phenyl)ethan-1-olRefChem:463250DTXCID101371869992-077-021172-28-12-amino-1-[3-(trifluoromethyl)phenyl]ethanolBenzenemethanol, a-(aminomethyl)-3-(trifluoromethyl)-2-amino-1-(3-(trifluoromethyl)phenyl)ethanolMFCD01664407CHEMBL224618

名称をさらに表示

α-(アミノメチル)-3-(トリフルオロメチル)ベンジルアルコール2-アミノ-1-[3-(トリフルオロメチル)フェニル]エタノール2-アミノ-1-[3-(トリフルオロメチル)フェニル]エタン-1-オールa-(aMinoMethyl)-3-(trifluoroMethyl)-α-(Aminomethyl)-3-(trifluoromethyl)benzyl alcoholBenzenemethanol, α-(aminomethyl)-3-(trifluoromethyl)-

2-hydroxy-2-(3-trifluoromethylphenyl)ethanamineBRN 2806670alpha-Aminomethyl-m-trifluoromethylbenzyl alcoholSCHEMBL166671SCHEMBL30753488BENZYL ALCOHOL, alpha-AMINOMETHYL-m-TRIFLUOROMETHYL-3-trifluoromethylphenylethanolamineRRBRWAPWPGAJMA-UHFFFAOYSA-O

データベース識別子

CAS: 21172-28-1
PubChem CID: 30514
DTXSID: DTXSID00943504
ChEMBL: CHEMBL224618
EC Number: 992-077-0
Nikkaji: J41.854D

物性

構造計算による物性

XLogP: 1
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 183

物理化学的性質

沸点: 141 °C · 141°C (rough estimate)
比重(密度): 1.2243 · 1.2243 (estimate)
貯蔵温度: 2 · 2-8°C, protect from light

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

毒性: mouse,LD50,intraperitoneal,226mg/kg (226mg/kg),"International Symposium on Amphetamines and Related Compounds, Proceedings, Mario Negri Institute for Pharmacological Research, Milan, 1969," Costa, E., and S. Garattini, eds., New York, Raven Press, 1970Vol. -, Pg. 21, 1970.
hs_code: 2922190090