3-(4-Chlorophenyl)-2,2-dimethylpropanenitrile CAS 1252672-59-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1252672-59-5
Molecular FormulaC11H12ClN
Molecular Weight193.67 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-Chlorophenyl)-2,2-dimethylpropanenitrile CAS 1252672-59-5 chemical structure

Description

The occurrence of 3-(4-Chlorophenyl)-2,2-dimethylpropanenitrile is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-(4-Chlorophenyl)-2,2-dimethylpropanenitrile (CAS 1252672-59-5) is a high-purity analytical reference standard with the molecular formula C11H12ClN and a molecular weight of 193.67 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution, 3-(4-Chlorophenyl)-2,2-dimethylpropanenitrile is typically off-white to pale yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 193.67 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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), 3-(4-Chlorophenyl)-2,2-dimethylpropanenitrile 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 FormulaC11H12ClN
Molecular Weight193.67 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
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentCl-containing
Nitrogen Atoms1

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