5-Bromo-3-(trifluoromethyl)isothiazole-4-carboxylic acid CAS 1628451-87-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1628451-87-5
Molecular FormulaC5HBrF3NO2S
Molecular Weight276.03 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Bromo-3-(trifluoromethyl)isothiazole-4-carboxylic acid CAS 1628451-87-5 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Bromo-3-(trifluoromethyl)isothiazole-4-carboxylic acid.

5-Bromo-3-(trifluoromethyl)isothiazole-4-carboxylic acid (CAS 1628451-87-5), molecular formula C5HBrF3NO2S and molecular weight 276.03 g/mol, is a CATO reference standard with documented purity and traceability.

5-Bromo-3-(trifluoromethyl)isothiazole-4-carboxylic acid (C5HBrF3NO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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-3-(trifluoromethyl)isothiazole-4-carboxylic 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 FormulaC5HBrF3NO2S
Molecular Weight276.03 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1993
Halogen ContentF/Br-containing
Nitrogen Atoms1
Sulfur Atoms1

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