Methyl 5-(4-bromobenzoyl)furan-2-carboxylate CAS 1399662-40-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1399662-40-8
Molecular FormulaC13H9BrO4
Molecular Weight309.11 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-(4-bromobenzoyl)furan-2-carboxylate CAS 1399662-40-8 chemical structure

Description

The occurrence of Methyl 5-(4-bromobenzoyl)furan-2-carboxylate 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 Methyl 5-(4-bromobenzoyl)furan-2-carboxylate (CAS 1399662-40-8), a certified reference material (molecular formula C13H9BrO4, MW 309.11 g/mol) for analytical method development and quality control.

Structurally, Methyl 5-(4-bromobenzoyl)furan-2-carboxylate (C13H9BrO4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 309.11 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC13H9BrO4
Molecular Weight309.11 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentBr-containing

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