5651-33-2

Basic information

• Product Name: 4H-3,1-benzoxathiin-4-one
• Synonyms: 4H-3,1-Benzoxathiin-4-one
• CAS NO: 5651-33-2
• Molecular Formula: C₈H₆O₂S
• Molecular Weight: 166.197
• Mol File: 5651-33-2.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 350.1°C at 760 mmHg
• Flash Point: 185°C
• Density: 1.348g/cm³
• Vapor Pressure: 4.5E-05mmHg at 25°C
• Refractive Index: 1.627
• CAS DataBase Reference: 4H-3,1-benzoxathiin-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 4H-3,1-benzoxathiin-4-one(5651-33-2)
• EPA Substance Registry System: 4H-3,1-benzoxathiin-4-one(5651-33-2)

Safety Data

• Hazardous Substances Data: 5651-33-2(Hazardous Substances Data)

Upstream product

• 63045-46-5 tert-butylperoxy 2-(methylthio)benzoate 
• 79894-32-9 N-t-butyl-2-(benzoyloxymethylthio)benzamide 
• 79894-28-3 N-tert-Butyl-2-methylsulfanyl-N-(4-nitro-benzoyloxy)-benzamide 
• 79894-26-1 N-Benzoyloxy-N-tert-butyl-2-methylsulfanyl-benzamide 

Downstream Products

• 77586-91-5 2,2'-dithiobis(2,6-dimethylbenzanilide) 
• 3724-10-5 2-(methylthio)benzoic acid 
• 4892-02-8 Methyl thiosalicylate 
• 119-80-2 2,2'-dithiobenzoic acid 
• 5054-53-5 benzo[1,2]dithiol-3-ylidene-phenyl-amine 
• 2514-36-5 2-benzylbenzo[d]isothiazol-3(2H)-one 

Relevant articles and documents

SULFURANYL RADICAL STRUCTURE AND REACTIONS OF o-(THIO)BENZOYLOXYL RADICALS FORMED BY THE DECOMPOSITION OF t-BUTYL o-(THIO)-PERBENZOATES STUDIED BY 1H AND 13C CIDNP AND 17O NMR.

**1H and **1**3C CIDNP signals were observed in the methyl group of o-(methylthio)benzoic acid and the methylene group of 3,1-benzoxathian-4-one during the thermal decomposition of t-butyl o-(methylthio)perbenzoate. The results show that the free 'o-(methylthio)benzoyloxyl radical' itself is better represented as the bridged sulfuranyl radical in which most of the spin density is localized at the sulfur atom rather than in the carboxyl. Thermolysis of t-butyl o-(methylthio)- and o-(phenylthio)perbenzoates-carbonyl-**1**7O was carried out and the oxygen labels were detected by **1**7O NMR spectroscopy. The migration of phenyl group and the peroxomonosulfate oxidation of o-(phenylthio)benzoic acid are also discussed.