1-(3-Chloro-5-fluorophenyl)-3-(3,4-dimethylphenyl)propan-1-one CAS 898779-71-0

Purity 97%+In StockPharmaceutical Standards
CAS No.898779-71-0
Molecular FormulaC17H16ClFO
Molecular Weight290.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Chloro-5-fluorophenyl)-3-(3,4-dimethylphenyl)propan-1-one CAS 898779-71-0 chemical structure

Description

The occurrence of 1-(3-Chloro-5-fluorophenyl)-3-(3,4-dimethylphenyl)propan-1-one is closely related to a steroid core, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(3-Chloro-5-fluorophenyl)-3-(3,4-dimethylphenyl)propan-1-one (CAS 898779-71-0), molecular formula C17H16ClFO and molecular weight 290.76 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1-(3-Chloro-5-fluorophenyl)-3-(3,4-dimethylphenyl)propan-1-one (C17H16ClFO) contains a steroid core, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. 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 290.76 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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC17H16ClFO
Molecular Weight290.76 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
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing

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