CAS 294620-60-3 4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid (HCID 654980)

部分構造検索類似構造を探す

基本情報

CAS: 294620-60-3
標準SMILES: Cc1nc(-c2ccc(C(=O)O)cc2)cs1
InChIKey: NYJHTTLXERQUIV-UHFFFAOYSA-N
分子式: C11H9NO2S
平均分子量: 219.26 g/mol
単同位体質量: 219.03539953

概要

4-(2-methyl-4-thiazolyl)benzoic acid is a member of benzoic acids.

名称と識別子

優先名称: 4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
IUPAC: 4-(2-methyl-1,3-thiazol-4-yl)benzoic acid
現地名: 4-(2-メチル-1,3-チアゾール-4-イル)安息香酸
英語名: 4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
分子式: C11H9NO2S
分子量: 219.26

名称と別名

294620-60-34-(2-methyl-1,3-thiazol-4-yl)benzoic acidDTXSID20349600RefChem:287302DTXCID20300670630-258-54-(2-Methylthiazol-4-yl)benzoic acid4-(2-Methyl-thiazol-4-yl)-benzoic acidBenzoic acid, 4-(2-methyl-4-thiazolyl)-MFCD022250884-(2-methyl-4-thiazolyl)benzoic acid4-(2-Methylthiazol-4-yl)benzoicacid

名称をさらに表示

4-(2-メチル-1,3-チアゾール-4-イル)安息香酸TIMTEC-BB SBB0114214-(2-Methylthiazol-4-yl)4-(4-Carboxyphenyl)-2-methyl-1,3-thiazole4-(2-Methyl-1,3-thiazol-4-yl)benzoicacid97%4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid 97%

Oprea1_314628Oprea1_478176SCHEMBL599260orb3030825CHEMBL1623780CHEBI:103850NYJHTTLXERQUIV-UHFFFAOYSA-NHMS1701A13

データベース識別子

CAS: 294620-60-3
PubChem CID

物性

構造計算による物性

XLogP: 2.5
極性表面積: 78.4 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 2
重原子数: 15
形式電荷: 0
複雑度: 239

物理化学的性質

融点: 262.5 · 262.5-268

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.