(alphaR)-2-Bromo-5-chloro-alpha-methylbenzenemethanol

HCID 50852803CAS 455957-88-7

기본 정보

표준 SMILES: C[C@@H](O)c1cc(Cl)ccc1Br
InChIKey: HKYNVWVJIOXCQX-RXMQYKEDSA-N
분자식: C8H8BrClO
평균 분자량: 235.5 g/mol
단동위원소 질량: 233.94471

이름 및 식별자

우선 이름: (alphaR)-2-Bromo-5-chloro-alpha-methylbenzenemethanol
IUPAC: (1R)-1-(2-bromo-5-chlorophenyl)ethanol

이름 및 동의어

(1r)-1-(2-bromo-5-chlorophenyl)ethan-1-ol455957-88-7DTXSID801251995RefChem:405685DTXCID301682785(alphaR)-2-Bromo-5-chloro-alpha-methylbenzenemethanol897-652-9(R)-1-(2-Bromo-5-chlorophenyl)ethan-1-ol(1R)-1-(2-Bromo-5-Chlorophenyl)EthanolSCHEMBL3119255SCHEMBL31042467HKYNVWVJIOXCQX-RXMQYKEDSA-N

이름 더 보기

EN300-1913872(I+/-R)-2-Bromo-5-chloro-I+/--methylbenzenemethanol

데이터베이스 식별자

CAS: 455957-88-7
PubChem CID: 50852803
DTXSID: DTXSID801251995
EC Number: 897-652-9

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 131

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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, 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.