2-Fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid CAS 1179676-15-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1179676-15-3
Molecular FormulaC14H10F2O2
Molecular Weight248.22 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid CAS 1179676-15-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 248.22 g/mol gives 2-Fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-Fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid (CAS 1179676-15-3) is a high-purity analytical reference standard with the molecular formula C14H10F2O2 and a molecular weight of 248.22 g/mol.

Structurally, 2-Fluoro-5-(4-fluoro-3-methylphenyl)benzoic acid (C14H10F2O2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 248.22 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 FormulaC14H10F2O2
Molecular Weight248.22 g/mol
AppearancePale yellow to 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 chloroform, dichloromethane, ethyl acetate, DMSO
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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF-containing

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