1-(3-Chloropropyl)-1H-1,2,4-triazole CAS 405939-74-4

Purity 97%+In StockPharmaceutical Standards
CAS No.405939-74-4
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Chloropropyl)-1H-1,2,4-triazole CAS 405939-74-4 chemical structure

Description

1-(3-Chloropropyl)-1H-1,2,4-triazole (CAS 405939-74-4), molecular formula C5H8ClN3 and molecular weight 145.59 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrile group, chlorine substitution, 1-(3-Chloropropyl)-1H-1,2,4-triazole is typically white to pale yellow liquid. Its solid-state physicochemical attributes — including a molecular weight of 145.59 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC5H8ClN3
Molecular Weight145.59 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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms3

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