methyl 3-bromo-4-(bromomethyl)benzoate CAS 78946-25-5

Purity 97%+In StockPharmaceutical Standards
CAS No.78946-25-5
Molecular FormulaC9H14Br2O2
Molecular Weight314.01 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

methyl 3-bromo-4-(bromomethyl)benzoate CAS 78946-25-5 chemical structure

Description

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

methyl 3-bromo-4-(bromomethyl)benzoate (CAS 78946-25-5) is a high-purity analytical reference standard with the molecular formula C9H14Br2O2 and a molecular weight of 314.01 g/mol.

The molecular framework of methyl 3-bromo-4-(bromomethyl)benzoate (C9H14Br2O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

Physical & Chemical Properties

Molecular FormulaC9H14Br2O2
Molecular Weight314.01 g/mol
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityContains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1979
Halogen ContentBr-containing

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