2-Butyl-4-thiazolecarboxylic acid

HCID 14050076

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 62657-88-9
標準SMILES: CCCCc1nc(C(=O)O)cs1
InChIKey: HRCOEVSFYVJQMT-UHFFFAOYSA-N
分子式: C8H11NO2S
平均分子量: 185.25 g/mol
単同位体質量: 185.05104977

名称と識別子

優先名称: 2-Butyl-4-thiazolecarboxylic acid
IUPAC: 2-butyl-1,3-thiazole-4-carboxylic acid

名称と別名

62657-88-92-BUTYL-1,3-THIAZOLE-4-CARBOXYLIC ACID2-Butyl-4-thiazolecarboxylic acidDTXSID301299950RefChem:468116DTXCID201730078856-307-22-Butylthiazole-4-carboxylic acid4-Thiazolecarboxylic acid, 2-butyl-starbld0042488SCHEMBL12460082-Butylthiazole-4-carboxylicacid

名称をさらに表示

HRCOEVSFYVJQMT-UHFFFAOYSA-NMCA65788MFCD14539674AKOS017515056F88536EN300-1703041F980760Z1255417351

データベース識別子

CAS: 62657-88-9
PubChem CID: 14050076
DTXSID: DTXSID301299950
EC Number: 856-307-2

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: 4
重原子数: 12
形式電荷: 0
複雑度: 163

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.