CAS 769123-53-7 2-Propyl-1,3-thiazole-4-carboxylic acid (HCID 18435762)

基本情報

CAS: 769123-53-7
標準SMILES: CCCc1nc(C(=O)O)cs1
InChIKey: MBWVPULRFTYSNB-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-Propyl-1,3-thiazole-4-carboxylic acid
IUPAC: 2-propyl-1,3-thiazole-4-carboxylic acid
現地名: 2-プロピル-1,3-チアゾール-4-カルボン酸
英語名: 2-PROPYL-1,3-THIAZOLE-4-CARBOXYLIC ACID
分子式: C7H9NO2S
分子量: 171.22

名称と別名

2-Propyl-1,3-thiazole-4-carboxylic acid769123-53-7DTXSID80593748RefChem:266401DTXCID60544511804-960-92-Propylthiazole-4-carboxylic acidMFCD09864422SCHEMBL21428832-Propylthiazole-4-carboxylicacidMBWVPULRFTYSNB-UHFFFAOYSA-NUFB12353

名称をさらに表示

2-プロピル-1,3-チアゾール-4-カルボン酸4-Thiazolecarboxylic acid, 2-propyl-2-propyl-1,3-thiazole-4-carboxylic acid(SALTDATA: FREE)

AKOS009860837AT21449BS-38479DA-18634SY376505CS-0308635EN300-1261682F310252

データベース識別子

CAS: 769123-53-7
PubChem CID: 18435762
DTXSID: DTXSID80593748
EC Number: 804-960-9

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: 3
重原子数: 11
形式電荷: 0
複雑度: 151

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.