3-(4-chlorophenyl)-2,1-benzisoxazole-5-carbonitrile CAS 344276-72-8

Purity 97%+In StockPharmaceutical Standards
CAS No.344276-72-8
Molecular FormulaC14H7ClN2O
Molecular Weight254.67 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(4-chlorophenyl)-2,1-benzisoxazole-5-carbonitrile CAS 344276-72-8 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(4-chlorophenyl)-2,1-benzisoxazole-5-carbonitrile.

CATO supplies 3-(4-chlorophenyl)-2,1-benzisoxazole-5-carbonitrile (CAS 344276-72-8), a certified reference material (molecular formula C14H7ClN2O, MW 254.67 g/mol) for analytical method development and quality control.

Based on its molecular formula C14H7ClN2O, 3-(4-chlorophenyl)-2,1-benzisoxazole-5-carbonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 254.67 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

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 FormulaC14H7ClN2O
Molecular Weight254.67 g/mol
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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2

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