CAS 16862-05-8 Methyl 3-(thiophen-2-yl)propanoate (HCID 566367)

基本情報

CAS: 16862-05-8
標準SMILES: COC(=O)CCc1cccs1
InChIKey: USTRJLXKHMURIF-UHFFFAOYSA-N
分子式: C8H10O2S
平均分子量: 170.23 g/mol
単同位体質量: 170.04015056

名称と識別子

優先名称: Methyl 3-(thiophen-2-yl)propanoate
IUPAC: methyl 3-thiophen-2-ylpropanoate
英語名: Methyl-3-(2-thienyl)=propionate
分子式: C8H10O2S
分子量: 170.23

名称と別名

16862-05-8Methyl 3-(thiophen-2-yl)propanoateDTXSID90340664RefChem:354776DTXCID10291745964-554-3methyl 3-thiophen-2-ylpropanoateMethyl 3-[2-Thienyl)propanoate2-Thiophenepropanoic acid methyl ester2-Thiophenepropanoic acid, methyl esterMethyl 3-(2-thienyl)propanoate3-(Thiophen-2-yl)propionic Acid Methyl Ester;

名称をさらに表示

3-thiophen-2-ylbutanoateMethyl 2?thiophenepropionateMethyl-3-(2-thienyl)=propionate2-Thiophenepropanoicacid,methylester3-(Thiophen-2-yl)propionic Acid Methyl Ester3-(Thiophen-2-yl)propanoic acid methyl esterMethyl-3-(2-thienyl)=propionate ISO 9001：2015 REACH

Methyl3-(thiophen-2-yl)propanoateSCHEMBL4461404Methyl-3-(2-thienyl) propionateMethyl 3-(2-thienyl)propanoate #MFCD097513392-Thiophenepropanic acid methyl esterAKOS006242923AC-8737

データベース識別子

CAS: 16862-05-8
PubChem CID: 566367
DTXSID: DTXSID90340664
EC Number: 964-554-3
Nikkaji: J2.655.007F

物性

構造計算による物性

XLogP: 1.7
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: 4
重原子数: 11
形式電荷: 0
複雑度: 136

物理化学的性質

沸点: 103 °C · 103 °C(Press: 10 Torr)
比重(密度): 1.148 · 1.148±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: soluble in Dichloromethane, Ethyl Acetate, Methanol
外見: Oil
色: Colourless

化学的性質

化学的特性Colourless Oil

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.