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

HCID 50852803CAS 455957-88-7

基本情報

標準SMILES: C[C@@H](O)c1cc(Cl)ccc1Br
InChIKey: HKYNVWVJIOXCQX-RXMQYKEDSA-N
分子式: C8H8BrClO
平均分子量: 235.5 g/mol
単同位体質量: 233.94471

名称と識別子

優先名称: (alphaR)-2-Bromo-5-chloro-alpha-methylbenzenemethanol
IUPAC: (1R)-1-(2-bromo-5-chlorophenyl)ethanol

名称と別名

(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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.8
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 131

安全と法規制

GHS分類

GHS Classification · 5 件

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.