CAS 78239-46-0 2-(Thiophen-3-yl)propanoic acid (HCID 13134867)

基本情報

CAS: 78239-46-0
標準SMILES: CC(C(=O)O)c1ccsc1
InChIKey: MDHJHWOTXDVWRS-UHFFFAOYSA-N
分子式: C7H8O2S
平均分子量: 156.2 g/mol
単同位体質量: 156.02450067

名称と識別子

優先名称: 2-(Thiophen-3-yl)propanoic acid
IUPAC: 2-thiophen-3-ylpropanoic acid

名称と別名

2-(thiophen-3-yl)propanoic acid78239-46-0RefChem:462420838-993-52-thiophen-3-ylpropanoic acid2-(3-Thienyl)propanoic acid3-thienyl propanoic acid2-(3-thienyl)propionic acidSCHEMBL5998752-(3-thienyl) propionic acid2-(thiophen-3-yl)propanoicacid2-(4-thiophenyl)-propionic acid

名称をさらに表示

MDHJHWOTXDVWRS-UHFFFAOYSA-NDDA23946MFCD16671460AKOS011369017AT17090SY189455EN300-82130Z954552432

データベース識別子

CAS: 78239-46-0
PubChem CID: 13134867
EC Number: 838-993-5

物性

構造計算による物性

XLogP: 1.6
極性表面積: 65.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 10
形式電荷: 0
複雑度: 136

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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+P354+P338, P317, P319, P321, P330, P332+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.