1-(3,4-Dichlorophenyl)-3-oxocyclohexanecarbonitrile CAS 944352-29-8

Purity 97%+In StockPharmaceutical Standards
CAS No.944352-29-8
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3,4-Dichlorophenyl)-3-oxocyclohexanecarbonitrile CAS 944352-29-8 chemical structure

Description

The occurrence of 1-(3,4-Dichlorophenyl)-3-oxocyclohexanecarbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(3,4-Dichlorophenyl)-3-oxocyclohexanecarbonitrile (CAS 944352-29-8), molecular formula C13H11Cl2NO and molecular weight 268.14 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 1-(3,4-Dichlorophenyl)-3-oxocyclohexanecarbonitrile (C13H11Cl2NO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms1

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