21702-79-4 3,5-DIBROMO-2-HYDROXYBENZOIC ACID METHYL ESTER BC002685 BENZOIC ACID, 3,5-DIBROMO-2-HYDROXY-, METHYL ESTER METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE METHYL 3,5-DIBROMOSALICYLATE CAS 21702-79-4

Purity 97%+In StockPharmaceutical Standards
CAS No.21702-79-4
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

21702-79-4 3,5-DIBROMO-2-HYDROXYBENZOIC ACID METHYL ESTER BC002685 BENZOIC ACID, 3,5-DIBROMO-2-HYDROXY-, METHYL ESTER METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE METHYL 3,5-DIBROMOSALICYLATE CAS 21702-79-4 chemical structure

Description

The occurrence of 21702-79-4 3,5-DIBROMO-2-HYDROXYBENZOIC ACID METHYL ESTER BC002685 BENZOIC ACID, 3,5-DIBROMO-2-HYDROXY-, METHYL ESTER METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE METHYL 3,5-DIBROMOSALICYLATE 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.

21702-79-4 3,5-DIBROMO-2-HYDROXYBENZOIC ACID METHYL ESTER BC002685 BENZOIC ACID, 3,5-DIBROMO-2-HYDROXY-, METHYL ESTER METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE METHYL 3,5-DIBROMOSALICYLATE (CAS 21702-79-4) is a high-purity analytical reference standard with the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol.

Structurally, 21702-79-4 3,5-DIBROMO-2-HYDROXYBENZOIC ACID METHYL ESTER BC002685 BENZOIC ACID, 3,5-DIBROMO-2-HYDROXY-, METHYL ESTER METHYL 3,5-DIBROMO-2-HYDROXYBENZOATE METHYL 3,5-DIBROMOSALICYLATE (C8H6Br2O3) 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 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 309.94 g/mol, it falls into the moderately-high-molecular-weight range. 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.

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 FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°C), keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.)1963
Halogen ContentBr-containing

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