Methyl 4-methylthiophene-2-carboxylate

HCID 2777593CAS 28686-90-0

基本情報

標準SMILES: COC(=O)c1cc(C)cs1
InChIKey: YUJMWNYIBNSQPL-UHFFFAOYSA-N
分子式: C7H8O2S
平均分子量: 156.2 g/mol
単同位体質量: 156.0245005

名称と識別子

優先名称: Methyl 4-methylthiophene-2-carboxylate
IUPAC: methyl 4-methylthiophene-2-carboxylate
英語名: Methyl 4-methylthiophene-2-carboxylate
分子式: C7H8O2S
分子量: 156.2

名称と別名

methyl 4-methylthiophene-2-carboxylate28686-90-0DTXSID10380582RefChem:157635DTXCID40331608893-796-1YUJMWNYIBNSQPL-UHFFFAOYSA-N2-Thiophenecarboxylic acid, 4-methyl-, methyl esterMFCD01763641Methyl 4-Methyl-thiophene-2-carboxylateSCHEMBL131368SCHEMBL131369

名称をさらに表示

2-(Methoxycarbonyl)-4-methylthiophene4-methyl-2-thiophenecarboxylic acid methyl ester4-METHYL-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER2-(Methoxycarbonyl)-4-methylthiophene, Methyl 4-methyl-2-thenoate4-methyl-2-Thiophenecarboxylic acid methyl ester (6CI 8CI 9CI ACI)2-Thiophenecarboxylic acid, 4-methyl-, methyl ester (6CI, 8CI, 9CI, ACI)

orb3030461SCHEMBL1717438SCHEMBL29189478Fr13831DBA68690SBB087166Methyl4-Methylthiophene-2-carboxylateAKOS006229824

データベース識別子

CAS: 28686-90-0
PubChem CID: 2777593
DTXSID: DTXSID10380582
EC Number: 893-796-1

物性

構造計算による物性

XLogP: 2.2
極性表面積: 54.5 Å²
水素結合供与体数: 0
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

物理化学的性質

沸点: 84 · 84-85 °C(Press: 2 Torr)
比重(密度): 1.173 · 1.173±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (50%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.