3-噻吩甲酸甲酯 (HCID 574151)

名称与标识

首选名称: Methyl 3-thiophenecarboxylate
IUPAC: methyl thiophene-3-carboxylate
中文名: 3-噻吩甲酸甲酯
英文名: Methyl 3-thiophenecarboxylate 97
分子式: C6H6O2S
分子量: 142.18

名称与别名

Methyl 3-thiophenecarboxylate22913-26-43-Thiophenecarboxylic acid, methyl esterDTXSID20341583RefChem:815645DTXCID40292664628-219-2methyl thiophene-3-carboxylateMFCD06203810THIOPHENE-3-CARBOXYLIC ACID METHYL ESTERMethyl 3-thiophenecarboxylate, 97%GEO-04563

展开更多名称

3-噻吩羧酸甲酯3-噻吩甲酸甲酯噻吩-3-甲酸甲酯甲基噻吩-3-羧酸酯3-噻吩甲酸甲酯 1G2-(4-(呋喃-2-酰胺)苯氧基)乙酸THOO1Methyl 3-thiophenecarboxylate 97Methyl Thiophene-3-carboxylate >Thiophene-3-carboxylic acid methyl ester3- thiophene carboxylic acidMethyl esterMETHYL 3-THIOPHENECARBOXYLATE 97 ISO 9001：2015 REACH

3-thiophene carboxylic acid methyl esterSY019965EN300-901703-methoxycarbonylthiophenemethyl-3-thenoateFT-06596123-methoxy carbonyl-thiopheneA816420

数据库标识

CAS: 22913-26-4
PubChem CID: 574151
DTXSID: DTXSID20341583
EC Number: 628-219-2
Nikkaji: J1.396.171I

性质

结构计算性质

XLogP: 1.8
极性表面积: 54.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 2
重原子: 9
形式电荷: 0
复杂度: 114

物理化学性质

沸点: 98 °C/10 · 98 °C/10 mmHg (lit.)
密度: 1.174 g/mL · 1.174 g/mL at 25 °C (lit.)
折射率: 20 · n20/D 1.5380(lit.)
闪点: 172 °F · 172 °F
储存条件: Keep in dark place,Sealed in dry,Room Temperature
形态: clear liquid
颜色: Colorless to Light yellow
最大波长(λmax): 239 nm · 239nm(Hexane)(lit.)
InChI: 1S/C6H6O2S/c1-8-6(7)5-2-3-9-4-5/h2-4H,1H3
InChIKey: ZTRAEMILTFNZSM-UHFFFAOYSA-N
SMILES: COC(=O)c1ccsc1

安全与法规

GHS分类

GHS Classification · 4 条

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全数据

wgk: 2
存储类别: 10 - Combustible liquids
安全说明: 26-36/37
海关编码: 29349990
危险品标志: Xi
危险性类别: Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
危险类别码: 36/37/38-43
危险品运输编号: NA 1993 / PGIII

化学与工业

制备方法 · 1 条

生产方法向3-噻吩甲酸（2.0 g，15.60 mmol）的甲醇（30 mL）溶液中加入催化量的浓硫酸（0.5 mL），将反应混合物加热回流2小时。反应完成后，减压蒸馏除去溶剂。将残余物倒入冰冷的水中，用乙酸乙酯（3 × 20 mL）萃取。合并有机层，用饱和食盐水洗涤，无水硫酸钠干燥。过滤后，减压浓缩有机相，得到3-噻吩甲酸甲酯（1.8 g，收率81%）为无色油状物。参考文献：[1] Patent: WO2006/123145, 2006, A1. Location in patent: Page/Page column 44[2] Recueil des Travaux Chimiques des Pays-Bas, 1934, vol. 53, p. 643,648[3] Recueil des Travaux Chimiques des Pays-Bas, 1936, vol. 55, p. 991[4] Patent: WO2016/115013, 2016, A1. Location in patent: Page/Page column 70[5] Patent: WO2006/108701, 2006, A1. Location in patent: Page/Page column 61