4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol CAS 91064-40-3

Purity 97%+In StockPharmaceutical Standards
CAS No.91064-40-3
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol CAS 91064-40-3 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-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol.

4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol (CAS 91064-40-3), molecular formula C11H9Cl2N3S and molecular weight 286.18 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol (C11H9Cl2N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 286.18 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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), 4-Allyl-5-(2,4-dichlorophenyl)-4h-1,2,4-triazole-3-thiol 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 FormulaC11H9Cl2N3S
Molecular Weight286.18 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1983
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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