1-(Bromoethynyl)-4-(trifluoromethyl)benzene CAS 313343-88-3

Purity 97%+In StockPharmaceutical Standards
CAS No.313343-88-3
Molecular FormulaC9H4BrF3
Molecular Weight249.03 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(Bromoethynyl)-4-(trifluoromethyl)benzene CAS 313343-88-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 249.03 g/mol gives 1-(Bromoethynyl)-4-(trifluoromethyl)benzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-(Bromoethynyl)-4-(trifluoromethyl)benzene (CAS 313343-88-3) is a high-purity analytical reference standard with the molecular formula C9H4BrF3 and a molecular weight of 249.03 g/mol.

Based on its molecular formula C9H4BrF3, 1-(Bromoethynyl)-4-(trifluoromethyl)benzene contains fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 249.03 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC9H4BrF3
Molecular Weight249.03 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 tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Br-containing

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