tert-Butyl 3,4-dibromo-5-methylbenzoate CAS 2364585-17-9

Purity 97%+In StockPharmaceutical Standards
CAS No.2364585-17-9
Molecular FormulaC12H14Br2O2
Molecular Weight350.05 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 3,4-dibromo-5-methylbenzoate CAS 2364585-17-9 chemical structure

Description

The occurrence of tert-Butyl 3,4-dibromo-5-methylbenzoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies tert-Butyl 3,4-dibromo-5-methylbenzoate (CAS 2364585-17-9), a certified reference material (molecular formula C12H14Br2O2, MW 350.05 g/mol) for analytical method development and quality control.

Based on its molecular formula C12H14Br2O2, tert-Butyl 3,4-dibromo-5-methylbenzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 350.05 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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.

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.

Physical & Chemical Properties

Molecular FormulaC12H14Br2O2
Molecular Weight350.05 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1999
Halogen ContentBr-containing

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