6-((Perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione CAS 113307-06-5

Purity 97%+In StockPharmaceutical Standards
CAS No.113307-06-5
Molecular FormulaC6H2F7N3O2S
Molecular Weight313.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-((Perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione CAS 113307-06-5 chemical structure

Description

Structurally, 6-((Perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione (C6H2F7N3O2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 313.15 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

CATO supplies 6-((Perfluoropropyl)thio)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 113307-06-5), a certified reference material (molecular formula C6H2F7N3O2S, MW 313.15 g/mol) for analytical method development and quality control.

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 FormulaC6H2F7N3O2S
Molecular Weight313.15 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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