3-Chloro-4,5-dihydroxybenzaldehyde

HCID 2468182

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 34098-18-5
標準SMILES: O=Cc1cc(O)c(O)c(Cl)c1
InChIKey: RNNPYEYJHJEDLU-UHFFFAOYSA-N
分子式: C7H5ClO3
平均分子量: 172.56 g/mol
単同位体質量: 171.9927217

概要

inhibits adipogenesis of 3T3-L1 adipocyte cells

名称と識別子

優先名称: 3-Chloro-4,5-dihydroxybenzaldehyde
IUPAC: 3-chloro-4,5-dihydroxybenzaldehyde
英語名: 3-CHLORO-4,5-DIHYDROXYBENZALDEHYDE
分子式: C7H5ClO3
分子量: 172.57

名称と別名

3-chloro-4,5-dihydroxybenzaldehyde34098-18-5DTXSID80955640RefChem:499850DTXCID801383629866-052-93-chloro-4,5-dihydroxy-benzaldehydeMFCD06380366Benzaldehyde,3-chloro-4,5-dihydroxy-5-chloro-3,4-dihydroxybenzaldehydeBenzaldehyde, 3-chloro-4,5-dihydroxy-SCHEMBL565112

名称をさらに表示

SCHEMBL9356262CHEMBL2205140SCHEMBL29459647RNNPYEYJHJEDLU-UHFFFAOYSA-N3,4-dihydroxy-5-chlorobenzaidehyde3,4-dihydroxy-5-chlorobenzaldehyde3-chloro-4,5-dihydroxy benzaldehydeSBB064924

データベース識別子

CAS: 34098-18-5
PubChem CID: 2468182
DTXSID: DTXSID80955640
ChEMBL: CHEMBL2205140
EC Number: 866-052-9
Nikkaji: J589.148E

物性

構造計算による物性

XLogP: 1.3
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: 1
重原子数: 11
形式電荷: 0
複雑度: 151

物理化学的性質

貯蔵温度: 2 · 2-8°C, stored under nitrogen

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.