4-Bromo-3-(trifluoromethyl)anisole CAS 400-72-6

Purity 97%+In StockPharmaceutical Standards
CAS No.400-72-6
Molecular FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Bromo-3-(trifluoromethyl)anisole CAS 400-72-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 255.03 g/mol gives 4-Bromo-3-(trifluoromethyl)anisole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 4-Bromo-3-(trifluoromethyl)anisole (CAS 400-72-6), a certified reference material (molecular formula C8H6BrF3O, MW 255.03 g/mol) for analytical method development and quality control.

Structurally, 4-Bromo-3-(trifluoromethyl)anisole (C8H6BrF3O) contains a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 255.03 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC8H6BrF3O
Molecular Weight255.03 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1957
Halogen ContentF/Br-containing

Related Bromo Standards

Recommended Standards

Why CATO?