4-Bromo-2-(hydroxymethyl)-6-methoxyphenol

HCID 894092CAS 35090-64-3

基本情報

標準SMILES: COc1cc(Br)cc(CO)c1O
InChIKey: UBLQIISPEAEAIX-UHFFFAOYSA-N
分子式: C8H9BrO3
平均分子量: 233.06 g/mol
単同位体質量: 231.97350625

名称と識別子

優先名称: 4-Bromo-2-(hydroxymethyl)-6-methoxyphenol
IUPAC: 4-bromo-2-(hydroxymethyl)-6-methoxyphenol
英語名: 4-Bromo-2-(hydroxymethyl)-6-methoxybenzenol
分子式: C8H9BrO3
分子量: 233.06

名称と別名

4-bromo-2-(hydroxymethyl)-6-methoxyphenol35090-64-3DTXSID60358418RefChem:519537DTXCID50309474818-742-64-Bromo-2-(Hydroxymethyl)-6-MethoxybenzenolMFCD020819864-bromo-2-hydroxymethyl-6-methoxyphenolBionet2_000506SCHEMBL293625UBLQIISPEAEAIX-UHFFFAOYSA-N

名称をさらに表示

RARECHEM AL BD 02455-BROMO-2-HYDROXY-3-METHOXYBENZYL ALCOHOLBenzenemethanol, 5-bromo-2-hydroxy-3-methoxy-

HMS1365G22KBA09064SBB079143AKOS0003389704-Bromo-2-hydroxymethyl-6-methoxy-phenolDB-1136374-bromo-2-(hydroxymethyl)-6-methoxy-phenolCS-0118797

データベース識別子

CAS: 35090-64-3
PubChem CID: 894092
DTXSID: DTXSID60358418
EC Number: 818-742-6

物性

構造計算による物性

XLogP: 1.9
極性表面積: 49.7 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 12
形式電荷: 0
複雑度: 142

実験および物理化学的性質

SpringerMaterials PropertiesChemical shift

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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.