1-Fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene CAS 1417569-49-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1417569-49-3
Molecular FormulaC8H3F7O
Molecular Weight248.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene CAS 1417569-49-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 248.10 g/mol gives 1-Fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

1-Fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene (CAS 1417569-49-3) is a high-purity analytical reference standard with the molecular formula C8H3F7O and a molecular weight of 248.10 g/mol.

Structurally, 1-Fluoro-4-(trifluoromethoxy)-2-(trifluoromethyl)benzene (C8H3F7O) contains a hydroxyl group, an ether linkage, fluorine 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 248.10 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 FormulaC8H3F7O
Molecular Weight248.10 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.)1991
Halogen ContentF-containing

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