Isoxazole-4-carbonitrile CAS 68776-58-9

Purity 97%+In StockPharmaceutical Standards
CAS No.68776-58-9
Molecular FormulaC4H2N2O
Molecular Weight94.07 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Isoxazole-4-carbonitrile CAS 68776-58-9 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 Isoxazole-4-carbonitrile.

CATO supplies Isoxazole-4-carbonitrile (CAS 68776-58-9), a certified reference material (molecular formula C4H2N2O, MW 94.07 g/mol) for analytical method development and quality control.

Structurally, Isoxazole-4-carbonitrile (C4H2N2O) contains an amide group, a hydroxyl group, an ether linkage. 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 94.07 g/mol, it falls into the low-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC4H2N2O
Molecular Weight94.07 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1976
Nitrogen Atoms2

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