3-Chloro-2-(3-((3,4,4-trifluorobut-3-en-1-yl)thio)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine CAS 672951-89-2

Purity 97%+In StockPharmaceutical Standards
CAS No.672951-89-2
Molecular FormulaC12H7ClF6N4S
Molecular Weight388.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-Chloro-2-(3-((3,4,4-trifluorobut-3-en-1-yl)thio)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine CAS 672951-89-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 388.72 g/mol gives 3-Chloro-2-(3-((3,4,4-trifluorobut-3-en-1-yl)thio)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-Chloro-2-(3-((3,4,4-trifluorobut-3-en-1-yl)thio)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (CAS 672951-89-2), molecular formula C12H7ClF6N4S and molecular weight 388.72 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, 3-Chloro-2-(3-((3,4,4-trifluorobut-3-en-1-yl)thio)-1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 388.72 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC12H7ClF6N4S
Molecular Weight388.72 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
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.)1985
Halogen ContentF/Cl-containing
Nitrogen Atoms4
Sulfur Atoms1

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