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

HCID 12403315CAS 67137-56-8

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Basic information

Standard SMILES: COC(=O)Cc1ccc(Br)s1
InChIKey: KEYPHZZYKZVXLU-UHFFFAOYSA-N
Molecular formula: C7H7BrO2S
Average molar mass: 235.1 g/mol

Names & identifiers

Preferred name: Methyl 2-(5-bromothiophen-2-yl)acetate
IUPAC: methyl 2-(5-bromothiophen-2-yl)acetate
English name: Methyl 2-(5-broMothiophen-2-yl)acetate
Molecular formula: C7H7BrO2S
Molecular weight: 235.1

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501