2-{3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine CAS 672951-90-5

Purity 97%+In StockPharmaceutical Standards
CAS No.672951-90-5
Molecular FormulaC10H8F3N5S
Molecular Weight287.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-{3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine CAS 672951-90-5 chemical structure

Description

The molecular framework of 2-{3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine (C10H8F3N5S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

2-{3-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine (CAS 672951-90-5) is a high-purity analytical reference standard with the molecular formula C10H8F3N5S and a molecular weight of 287.26 g/mol.

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

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 FormulaC10H8F3N5S
Molecular Weight287.26 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.)1985
Halogen ContentF-containing
Nitrogen Atoms5
Sulfur Atoms1

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