CAS 62657-87-8 2-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid (HCID 19786342)

基本情報

CAS: 62657-87-8
標準SMILES: CC(C)c1ncc(C(=O)O)s1
InChIKey: FVSORVIZXIZSNY-UHFFFAOYSA-N
分子式: C7H9NO2S
平均分子量: 171.22 g/mol
単同位体質量: 171.0353997

名称と識別子

優先名称: 2-(Propan-2-yl)-1,3-thiazole-5-carboxylic acid
IUPAC: 2-propan-2-yl-1,3-thiazole-5-carboxylic acid

名称と別名

62657-87-82-(PROPAN-2-YL)-1,3-THIAZOLE-5-CARBOXYLIC ACIDRefChem:461985832-190-32-isopropylthiazole-5-carboxylic acid5-Thiazolecarboxylic acid, 2-(1-methylethyl)-MFCD11208431SCHEMBL14215752-propan-2-yl-1,3-thiazole-5-carboxylic acidAS-35322CS-04543702-isopropylthiaz

名称をさらに表示

AM101050BB 0310229ALBB-036869MCA657872-isopropylthiazole-5-carboxylicacidAKOS009332323SY137245DB-354987

データベース識別子

CAS: 62657-87-8
PubChem CID: 19786342
EC Number: 832-190-3

物性

構造計算による物性

XLogP: 2
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: 11
形式電荷: 0
複雑度: 161

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.