2-아미노-1-[3-(트리플루오로메틸)페닐]에탄올

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

HCID 30514

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 21172-28-1
표준 SMILES: NCC(O)c1cccc(C(F)(F)F)c1
InChIKey: RRBRWAPWPGAJMA-UHFFFAOYSA-N
분자식: C9H10F3NO
평균 분자량: 205.18 g/mol
단동위원소 질량: 205.0714486

이름 및 식별자

우선 이름: 2-Amino-1-[3-(trifluoromethyl)phenyl]ethan-1-ol
IUPAC: 2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
현지명: 2-아미노-1-[3-(트리플루오로메틸)페닐]에탄올
영어명: 2-Amino-1-[3-(trifluoromethyl)phenyl]ethanol
분자식: C9H10F3NO
분자량: 205.18

이름 및 동의어

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

이름 더 보기

2-아미노-1-[3-(트리플루오로메틸)페닐]에탄올a-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 183

물리화학적 성질

끓는 점: 141 °C · 141°C (rough estimate)
밀도: 1.2243 · 1.2243 (estimate)
저장 조건: 2 · 2-8°C, protect from light

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

독성: 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 번호: 2922190090