Methyl 3-(bromomethyl)thiophene-2-carboxylate

HCID 10537693

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基本情報

CAS: 59961-15-8
標準SMILES: COC(=O)c1sccc1CBr
InChIKey: INQCGTXAYKWHGH-UHFFFAOYSA-N
分子式: C7H7BrO2S
平均分子量: 235.1 g/mol
単同位体質量: 233.93501256

名称と識別子

優先名称: Methyl 3-(bromomethyl)thiophene-2-carboxylate
IUPAC: methyl 3-(bromomethyl)thiophene-2-carboxylate
英語名: 3-BROMOMETHYL-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
分子式: C7H7BrO2S
分子量: 235.1

名称と別名

59961-15-8Methyl 3-(bromomethyl)thiophene-2-carboxylateDTXSID60441455RefChem:354735DTXCID603922763-Bromomethyl-thiophene-2-carboxylic acid methyl esterMFCD08689596Methyl3-(bromomethyl)thiophene-2-carboxylate3-Bromomethyl-thiophene-2-carboxylic acid methylSCHEMBL1586752-Thiophenecarboxylic acid, 3-(bromomethyl)-, methyl esterINQCGTXAYKWHGH-UHFFFAOYSA-N

名称をさらに表示

3-(bromomethyl)-2-Thiophenecarboxylic acid methyl ester

methyl 3-(bromomethyl)-2-thenoateJCA96115XH0728AKOS015852121AS-33688SY185178DB-012651methyl 3-bromomethyl-2-thiophenecarboxylate

データベース識別子

CAS: 59961-15-8
PubChem CID: 10537693
DTXSID: DTXSID60441455
EC Number: 675-860-9
Nikkaji: J1.488.597H

物性

構造計算による物性

XLogP: 2.3
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: 3
重原子数: 11
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 32 · 32-33 °C
沸点: 118 · 118-120 °C(Press: 0.5 Torr)
比重(密度): 1.606 · 1.606±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.