4-(4-Chloro-3-methylphenyl)-2-(4-chlorophenyl)-4-oxobutanenitrile CAS 866051-67-4

Purity 97%+In StockPharmaceutical Standards
CAS No.866051-67-4
Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Chloro-3-methylphenyl)-2-(4-chlorophenyl)-4-oxobutanenitrile CAS 866051-67-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 318.20 g/mol gives 4-(4-Chloro-3-methylphenyl)-2-(4-chlorophenyl)-4-oxobutanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-(4-Chloro-3-methylphenyl)-2-(4-chlorophenyl)-4-oxobutanenitrile (CAS 866051-67-4), molecular formula C17H13Cl2NO and molecular weight 318.20 g/mol, is a CATO reference standard with documented purity and traceability.

4-(4-Chloro-3-methylphenyl)-2-(4-chlorophenyl)-4-oxobutanenitrile (C17H13Cl2NO) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

As a certified reference material (CRM), 4-(4-Chloro-3-methylphenyl)-2-(4-chlorophenyl)-4-oxobutanenitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC17H13Cl2NO
Molecular Weight318.20 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms1

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