2-Benzyl-4-bromo-5-((4-fluorophenyl)thio)pyridazin-3(2H)-one CAS 565156-87-8

Purity 97%+In StockPharmaceutical Standards
CAS No.565156-87-8
Molecular FormulaC17H12BrFN2OS
Molecular Weight391.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Benzyl-4-bromo-5-((4-fluorophenyl)thio)pyridazin-3(2H)-one CAS 565156-87-8 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 2-Benzyl-4-bromo-5-((4-fluorophenyl)thio)pyridazin-3(2H)-one.

2-Benzyl-4-bromo-5-((4-fluorophenyl)thio)pyridazin-3(2H)-one (CAS 565156-87-8), molecular formula C17H12BrFN2OS and molecular weight 391.26 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 2-Benzyl-4-bromo-5-((4-fluorophenyl)thio)pyridazin-3(2H)-one (C17H12BrFN2OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 391.26 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.

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 FormulaC17H12BrFN2OS
Molecular Weight391.26 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)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentF/Br-containing
Nitrogen Atoms2
Sulfur Atoms1

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