(4-Chloro-3-fluorophenyl)(4-(pyrrolidin-1-ylmethyl)phenyl)methanone CAS 898776-57-3

Purity 97%+In StockPharmaceutical Standards
CAS No.898776-57-3
Molecular FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(4-Chloro-3-fluorophenyl)(4-(pyrrolidin-1-ylmethyl)phenyl)methanone CAS 898776-57-3 chemical structure

Description

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

(4-Chloro-3-fluorophenyl)(4-(pyrrolidin-1-ylmethyl)phenyl)methanone (CAS 898776-57-3), molecular formula C18H17ClFNO and molecular weight 317.79 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C18H17ClFNO, (4-Chloro-3-fluorophenyl)(4-(pyrrolidin-1-ylmethyl)phenyl)methanone contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 317.79 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC18H17ClFNO
Molecular Weight317.79 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms1

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