Methyl 2-(4-bromothiophen-2-yl)acetate

HCID 67367159CAS 1324010-54-9

基本情報

標準SMILES: COC(=O)Cc1cc(Br)cs1
InChIKey: DADHKWSUZCRADL-UHFFFAOYSA-N
分子式: C7H7BrO2S
平均分子量: 235.1 g/mol

名称と識別子

優先名称: Methyl 2-(4-bromothiophen-2-yl)acetate
IUPAC: methyl 2-(4-bromothiophen-2-yl)acetate

名称と別名

methyl 2-(4-bromothiophen-2-yl)acetate1324010-54-9RefChem:813489893-970-7SCHEMBL2332944DADHKWSUZCRADL-UHFFFAOYSA-NMethyl 4-bromo-2-thiopheneacetateDB-417319G28732EN300-2942249

データベース識別子

CAS: 1324010-54-9
PubChem CID: 67367159
EC Number: 893-970-7

物性

構造計算による物性

XLogP: 2.1
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

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)