알파-(아미노메틸)-3,4-디클로로벤질알코올

alpha-(Aminomethyl)-3,4-dichlorobenzenemethanol

HCID 19349CAS 3567-82-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC(O)c1ccc(Cl)c(Cl)c1
InChIKey: KAFHLYIMFOUYGL-UHFFFAOYSA-N
분자식: C8H9Cl2NO
평균 분자량: 206.07 g/mol
단동위원소 질량: 205.0061193

이름 및 식별자

우선 이름: alpha-(Aminomethyl)-3,4-dichlorobenzenemethanol
IUPAC: 2-amino-1-(3,4-dichlorophenyl)ethanol
현지명: 알파-(아미노메틸)-3,4-디클로로벤질알코올
영어명: alpha-(aminomethyl)-3,4-dichlorobenzyl alcohol
분자식: C8H9Cl2NO
분자량: 206.06916

이름 및 동의어

3567-82-63,4-DichlorophenylethanolamineRefChem:555291alpha-(Aminomethyl)-3,4-dichlorobenzenemethanol222-659-5alpha-(Aminomethyl)-3,4-dichlorobenzyl alcohol2-amino-1-(3,4-dichlorophenyl)ethan-1-ol2-amino-1-(3,4-dichloro-phenyl)-ethanolCHEMBL224526(S)-2-Amino-1-(3,4-dichloro-phenyl)-ethanolMFCD111682172-Amino-1-(3,4-dichlorophenyl)ethanol HCl

이름 더 보기

알파-(아미노메틸)-3,4-디클로로벤질알코올α-(aminomethyl)-3,4-dichlorobenzyl alcoholα-(Aminomethyl)-3,4-dichlorobenzenemethanolBenzenemethanol, α-(aminomethyl)-3,4-dichloro-Benzenemethanol, a-(aminomethyl)-3,4-dichloro-

EINECS 222-659-5MFCD11042306(S)-2-amino-1-(3,4-dichlorophenyl)ethanolBenzenemethanol, a-(aminomethyl)-3,4-dichloro-, (aS)-SCHEMBL296410SCHEMBL25831761DTXSID90957054KAFHLYIMFOUYGL-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 3567-82-6
PubChem CID: 19349
DTXSID: DTXSID90957054
EC Number: 222-659-5
Nikkaji: J216.206G

물성

구조 계산 물성

XLogP: 2
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 145

물리화학적 성질

끓는 점: 354.1 · 354.1±37.0 °C(Predicted)
밀도: 1.391 · 1.391±0.06 g/cm3(Predicted)
산도 계수 (pKa): 11.38 · 11.38±0.35(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.