1-(3-Bromoprop-1-yn-1-yl)-4-fluorobenzene CAS 40274-29-1

Purity 97%+In StockPharmaceutical Standards
CAS No.40274-29-1
Molecular FormulaC9H6BrF
Molecular Weight213.05 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Bromoprop-1-yn-1-yl)-4-fluorobenzene CAS 40274-29-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 213.05 g/mol gives 1-(3-Bromoprop-1-yn-1-yl)-4-fluorobenzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 1-(3-Bromoprop-1-yn-1-yl)-4-fluorobenzene (CAS 40274-29-1), a certified reference material (molecular formula C9H6BrF, MW 213.05 g/mol) for analytical method development and quality control.

The molecular framework of 1-(3-Bromoprop-1-yn-1-yl)-4-fluorobenzene (C9H6BrF) is characterized by fluorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.

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 FormulaC9H6BrF
Molecular Weight213.05 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.)1968
Halogen ContentF/Br-containing

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