4-([1,2,4]Triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-chloroaniline CAS 945314-62-5

Purity 97%+In StockPharmaceutical Standards
CAS No.945314-62-5
Molecular FormulaC9H6ClN5S
Molecular Weight251.70 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-([1,2,4]Triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-chloroaniline CAS 945314-62-5 chemical structure

Description

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO supplies 4-([1,2,4]Triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-chloroaniline (CAS 945314-62-5), a certified reference material (molecular formula C9H6ClN5S, MW 251.70 g/mol) for analytical method development and quality control.

The molecular framework of 4-([1,2,4]Triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-chloroaniline (C9H6ClN5S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC9H6ClN5S
Molecular Weight251.70 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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms5
Sulfur Atoms1

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