Methyl 2-bromo-4,5-dimethoxybenzoate

HCID 2817399

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Basic information

CAS: 17667-32-2
Standard SMILES: COC(=O)c1cc(OC)c(OC)cc1Br
InChIKey: BCUHOZBMHZWCGL-UHFFFAOYSA-N
Molecular formula: C10H11BrO4
Average molar mass: 275.1 g/mol
Monoisotopic mass: 273.98407093

Names & identifiers

Preferred name: Methyl 2-bromo-4,5-dimethoxybenzoate
IUPAC: methyl 2-bromo-4,5-dimethoxybenzoate
English name: Methyl-2-bromo-4,5-dimethoxybenzoate
Molecular formula: C10H11BrO4
Molecular weight: 275.1

Names & synonyms

methyl 2-bromo-4,5-dimethoxybenzoate17667-32-2DTXSID50384701RefChem:354124DTXCID20335725methyl-2-bromo-4,5-dimethoxybenzoateMFCD00017182methyl 6-bromoveratrateBenzoic acid, 2-bromo-4,5-dimethoxy-, methyl esterMethyl 6-bromo-3,4-dimethoxybenzoate2-bromo-4,5-dimethoxybenzoic acid methyl esterSCHEMBL12497066

Show more names

2-bromo-4,5-dimethoxymethyl benzoate

SCHEMBL29945757BCUHOZBMHZWCGL-UHFFFAOYSA-NALBB-034408AKOS015834884FB70592FS-5011methyl 2-bromo-4,5-dimethoxy-benzoateSY082934

Database identifiers

CAS: 17667-32-2
PubChem CID: 2817399
DTXSID: DTXSID50384701
Nikkaji: J1.755.518I

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 221

Physicochemical properties

Melting point: 86 · 86-88 °C
Boiling point: 325.3 · 325.3±37.0 °C(Predicted)
Density: 1.436 · 1.436±0.06 g/cm3(Predicted)
storage temp.: Room temperature.
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H226
Precautionary statements: 501 · P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS02
Hazard statements: H302-H315-H319-H226
Precautionary statements: P501-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P312+P330-P403+P235