methyl 5-bromo-2-isothiocyanatobenzoate

Modify Date: 2025-10-03 17:01:58

methyl 5-bromo-2-isothiocyanatobenzoate Structure
methyl 5-bromo-2-isothiocyanatobenzoate structure
Common Name methyl 5-bromo-2-isothiocyanatobenzoate
CAS Number 131842-27-8 Molecular Weight 272.11800
Density N/A Boiling Point N/A
Molecular Formula C9H6BrNO2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name methyl 5-bromo-2-isothiocyanatobenzoate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C9H6BrNO2S
Molecular Weight 272.11800
Exact Mass 270.93000
PSA 70.75000
LogP 2.97000
InChIKey BOVYMTDISMCWLI-UHFFFAOYSA-N
SMILES COC(=O)c1cc(Br)ccc1N=C=S

 Synonyms

methyl-5-bromo-2-isothiocyanatobenzoate
Benzoic acid,5-bromo-2-isothiocyanato-,methyl ester
5-bromo-2-isothiocyanato-benzoic acid methyl ester
4-bromo-2-methoxycarbonylphenyl isothiocyanate
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