Methyl 2-(5-bromothiophen-2-yl)acetate

HCID 12403315CAS 67137-56-8

基本信息

标准SMILES: COC(=O)Cc1ccc(Br)s1
InChIKey: KEYPHZZYKZVXLU-UHFFFAOYSA-N
分子式: C7H7BrO2S
平均分子量: 235.1 g/mol

名称与标识

首选名称: Methyl 2-(5-bromothiophen-2-yl)acetate
IUPAC: methyl 2-(5-bromothiophen-2-yl)acetate
中文名: Methyl 2-(5-broMothiophen-2-yl)acetate
英文名: Methyl 2-(5-broMothiophen-2-yl)acetate
分子式: C7H7BrO2S
分子量: 235.1

名称与别名

Methyl 2-(5-bromothiophen-2-yl)acetate67137-56-8RefChem:813563831-596-8MFCD193540702-Thiopheneacetic acid, 5-bromo-, methyl esterSCHEMBL1598343KEYPHZZYKZVXLU-UHFFFAOYSA-Nmethyl (5-bromo-2-thienyl)acetateSCA13756methyl2-(5-bromo-2-thienyl)acetateAKOS017409157

展开更多名称

2-(5-溴-2-噻吩基)乙酸甲酯2-(5-溴噻吩-2-基)乙酸甲酯

methyl 2-(5-bromo-2-thienyl)acetateMethyl2-(5-bromothiophen-2-yl)acetateAS-41098SY076776DB-171800CS-0434795EN300-225257(5-bromo-thiophen-2-yl)-acetic acid methyl ester

数据库标识

CAS: 67137-56-8
PubChem CID: 12403315
EC Number: 831-596-8

性质

结构计算性质

XLogP: 2.5
极性表面积: 54.5 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 151

物理化学性质

储存条件: 2 · Storage temp. 2-8°C
外观: Colorless to light yellow Liquid

安全与法规

GHS分类

GHS Classification · 4 条

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.