3-Bromo-5-fluoroindazole-1-carboxylic acid tert-butyl ester CAS 885271-57-8

Purity 97%+In StockPharmaceutical Standards
CAS No.885271-57-8
Molecular FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Bromo-5-fluoroindazole-1-carboxylic acid tert-butyl ester CAS 885271-57-8 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 315.14 g/mol gives 3-Bromo-5-fluoroindazole-1-carboxylic acid tert-butyl ester distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Bromo-5-fluoroindazole-1-carboxylic acid tert-butyl ester (CAS 885271-57-8), molecular formula C12H12BrFN2O2 and molecular weight 315.14 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C12H12BrFN2O2, 3-Bromo-5-fluoroindazole-1-carboxylic acid tert-butyl ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 315.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC12H12BrFN2O2
Molecular Weight315.14 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Br-containing
Nitrogen Atoms2

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