4-(4-Hydroxyphenyl)-1H-1,2,3-triazole-5-carbonitrile CAS 39807-61-9

Purity 97%+In StockPharmaceutical Standards
CAS No.39807-61-9
Molecular FormulaC9H6N4O
Molecular Weight186.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(4-Hydroxyphenyl)-1H-1,2,3-triazole-5-carbonitrile CAS 39807-61-9 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 4-(4-Hydroxyphenyl)-1H-1,2,3-triazole-5-carbonitrile.

4-(4-Hydroxyphenyl)-1H-1,2,3-triazole-5-carbonitrile (CAS 39807-61-9), molecular formula C9H6N4O and molecular weight 186.17 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 4-(4-Hydroxyphenyl)-1H-1,2,3-triazole-5-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 186.17 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.

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 FormulaC9H6N4O
Molecular Weight186.17 g/mol
AppearancePale yellow to yellow crystalline powder. (faint amine-like odor)
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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1968
Nitrogen Atoms4

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