5-Bromo-4-cyano-2-formylbenzoic acid CAS 1805406-80-7

Purity 97%+In StockPharmaceutical Standards
CAS No.1805406-80-7
Molecular FormulaC9H4BrNO3
Molecular Weight254.04 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Bromo-4-cyano-2-formylbenzoic acid CAS 1805406-80-7 chemical structure

Description

The occurrence of 5-Bromo-4-cyano-2-formylbenzoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-Bromo-4-cyano-2-formylbenzoic acid (CAS 1805406-80-7) is a high-purity analytical reference standard with the molecular formula C9H4BrNO3 and a molecular weight of 254.04 g/mol.

5-Bromo-4-cyano-2-formylbenzoic acid (C9H4BrNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

As a certified reference material (CRM), 5-Bromo-4-cyano-2-formylbenzoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC9H4BrNO3
Molecular Weight254.04 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, ethanol, 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentBr-containing
Nitrogen Atoms1

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