2-(3-Bromo-5-hydroxyphenyl)acetic acid

HCID 66734166

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 934241-94-8
標準SMILES: O=C(O)Cc1cc(O)cc(Br)c1
InChIKey: HEVGCOVCYZLVOV-UHFFFAOYSA-N
分子式: C8H7BrO3
平均分子量: 231.04 g/mol
単同位体質量: 229.95786

名称と識別子

優先名称: 2-(3-Bromo-5-hydroxyphenyl)acetic acid
IUPAC: 2-(3-bromo-5-hydroxyphenyl)acetic acid

名称と別名

2-(3-BROMO-5-HYDROXYPHENYL)ACETIC ACID934241-94-8RefChem:455223818-713-8(3-BROMO-5-HYDROXYPHENYL)ACETIC ACIDSCHEMBL585787HEVGCOVCYZLVOV-UHFFFAOYSA-NJMB24194AKOS023447346AB75529DB-3098702-(3-BROMO-5-HYDROXYPHENYL)ACETICACID

名称をさらに表示

EN300-1655929Z1269195529

データベース識別子

CAS: 934241-94-8
PubChem CID: 66734166
EC Number: 818-713-8

物性

構造計算による物性

XLogP: 1.7
極性表面積: 57.5 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: 172

安全と法規制

GHS分類

GHS Classification · 5 件

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.