17757-70-9

Basic information

• Product Name: CARBOXIN SULFOXIDE)
• Synonyms: 6-Methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxaMide;CARBOXIN SULFOXIDO;Carboxin Sulfoxid;CARBOXIN SULFOXIDE);2-Methyl-3-(phenylcarbamoyl)-5,6-dihydro-1,4-oxathiin 4-oxide;5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboanilide 4-oxide;5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide 4-oxide;Carboxin 4-oxide
• CAS NO: 17757-70-9
• Molecular Formula: C₁₂H₁₃NO₃S
• Molecular Weight: 251.3
• Mol File: 17757-70-9.mol

Chemical Properties

• Melting Point: 120-121 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 511.9°Cat760mmHg
• Flash Point: 263.4°C
• Appearance: /
• Density: 1.36g/cm³
• Vapor Pressure: 1.35E-10mmHg at 25°C
• Refractive Index: 1.638
• Storage Temp.: -20°C Freezer
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 12.73±0.70(Predicted)
• CAS DataBase Reference: CARBOXIN SULFOXIDE)(CAS DataBase Reference)
• NIST Chemistry Reference: CARBOXIN SULFOXIDE)(17757-70-9)
• EPA Substance Registry System: CARBOXIN SULFOXIDE)(17757-70-9)

Safety Data

• Hazardous Substances Data: 17757-70-9(Hazardous Substances Data)

Usage

Uses

Carboxin Sulfoxide is an oxathiin systemic fungicide used on biological systems.

InChI:InChI=1/C12H13NO3S/c1-9-11(17(15)8-7-16-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)

Upstream product

• 5234-68-4 5,6-dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide 

Downstream Products

• 64754-74-1 2-methyl-1,3-oxathiolane-N-phenyl-2-ketocarboxamide 
• 42825-80-9 2-(Acetoxymethyl)-5,6-dihydro-1,4-oxathiin-3-carboxanilide 
• 75420-86-9 5-Acetoxy-5,6-dihydro-2-methyl-1,4-oxathiin-3-carboxanilide 
• 75420-87-0 2,3-Diacetoxy-2-methyl-1,4-oxathiane-3-carboxanilide 

Relevant articles and documents

Phototransformation of carboxin in water. Toxicity of the pesticide and its sulfoxide to aquatic organisms

Sunlight exposure of aqueous suspensions of carboxin (1) causes its phototransformation to sulfoxide 2 and minor components. Similar effects are observed in the presence of humic acid or nitrate or at different pH values. Photoproducts 2-9 were isolated by Chromatographic techniques and/or identified by spectroscopic means. Carboxin 1 and its main photoproduct sulfoxide 2 were tested to evaluate acute toxicity to primary consumers typical of the aquatic environment: the rotifer Brachionus calyciflorus and two crustaceans, Daphnia magna and Thamnocephalus platyurus. Chronic tests comprised a producer, the alga Pseudokirchneriella subcapitata, and a consumer, the crustacean Ceriodaphnia dubia.

Substituent and solvent effects on the photosensitized oxygenation of 5,6-dihydro-1,4-oxathiins. Intramolecular oxygen transfer vs normal cleavage of the dioxetane intermediates

The reaction of singlet oxygen with variously substituted oxathiins 1 affords dicarbonyl compounds 4 and/or ketosulfoxides 7 and 8 depending on the nature of the substituent at C3 and on the reaction conditions. The normal fragmentation of dioxetanes 2 to