1-Bromo-4-fluoro-2-nitro-5-(trifluoromethyl)benzene CAS 889459-13-6

Purity 97%+In StockPharmaceutical Standards
CAS No.889459-13-6
Molecular FormulaC7H2BrF4NO2
Molecular Weight287.99 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Bromo-4-fluoro-2-nitro-5-(trifluoromethyl)benzene CAS 889459-13-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 287.99 g/mol gives 1-Bromo-4-fluoro-2-nitro-5-(trifluoromethyl)benzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-Bromo-4-fluoro-2-nitro-5-(trifluoromethyl)benzene (CAS 889459-13-6), molecular formula C7H2BrF4NO2 and molecular weight 287.99 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 1-Bromo-4-fluoro-2-nitro-5-(trifluoromethyl)benzene (C7H2BrF4NO2) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC7H2BrF4NO2
Molecular Weight287.99 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
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)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Br-containing
Nitrogen Atoms1

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