4-(4-Chlorophenyl)-4-oxobutanenitrile CAS 40394-87-4

Purity 97%+In StockPharmaceutical Standards
CAS No.40394-87-4
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Chlorophenyl)-4-oxobutanenitrile CAS 40394-87-4 chemical structure

Description

The occurrence of 4-(4-Chlorophenyl)-4-oxobutanenitrile 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.

4-(4-Chlorophenyl)-4-oxobutanenitrile (CAS 40394-87-4) is a high-purity analytical reference standard with the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol.

Structurally, 4-(4-Chlorophenyl)-4-oxobutanenitrile (C10H8ClNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 193.63 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC10H8ClNO
Molecular Weight193.63 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1968
Halogen ContentCl-containing
Nitrogen Atoms1

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