2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile CAS 1004643-52-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1004643-52-0
Molecular FormulaC7H8ClN3
Molecular Weight169.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile CAS 1004643-52-0 chemical structure

Description

The occurrence of 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile is closely related to a nitrile group, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile (CAS 1004643-52-0), a certified reference material (molecular formula C7H8ClN3, MW 169.61 g/mol) for analytical method development and quality control.

Structurally, 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile (C7H8ClN3) contains a nitrile group, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 169.61 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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), 2-(4-Chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetonitrile 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 FormulaC7H8ClN3
Molecular Weight169.61 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 DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl-containing
Nitrogen Atoms3

Related Chloro Standards

Recommended Standards

Why CATO?