13947-21-2

Basic information

• Product Name: 2-CHLOROMETHYL-1,1-DIOXO-1,2-DIHYDRO-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-ONE
• Synonyms: 1,2-Benzisothiazolin-3-one,2-(chloromethyl)-, 1,1-dioxide (6CI,7CI,8CI); 2-(Chloromethyl)saccharin;2-Chloromethyl-1,2-benzisothiazole-1,1,3(2H)-trione; N-Chloromethylsaccharin
• CAS NO: 13947-21-2
• Molecular Formula: C₈H₆ClNO₃S
• Molecular Weight: 231.65614
• Mol File: 13947-21-2.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 402.8°Cat760mmHg
• Flash Point: 197.4°C
• Appearance: /
• Density: 1.596g/cm³
• Vapor Pressure: 1.07E-06mmHg at 25°C
• Refractive Index: 1.629
• CAS DataBase Reference: 2-CHLOROMETHYL-1,1-DIOXO-1,2-DIHYDRO-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLOROMETHYL-1,1-DIOXO-1,2-DIHYDRO-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-ONE(13947-21-2)
• EPA Substance Registry System: 2-CHLOROMETHYL-1,1-DIOXO-1,2-DIHYDRO-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-ONE(13947-21-2)

Safety Data

• Hazardous Substances Data: 13947-21-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H6ClNO3S/c9-5-10-8(11)6-3-1-2-4-7(6)14(10,12)13/h1-4H,5H2

Upstream product

• 50-00-0 formaldehyd 
• 81-07-2 saccharin 
• 870-72-4 sodium formaldehyde bisulfite 
• 13947-20-1 N-(hydroxymethyl)saccharin 

Downstream Products

• 106841-62-7 2-(benzylmercapto-methyl)-1,1-dioxo-1λ⁶-benz[d]isothiazol-3-one 
• 40431-34-3 2-(hydroxymethyl)-N-methylbenzenesulfonamide 
• 54553-18-3 2-(diphenylphosphinoyl-methyl)-1,1-dioxo-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one 
• 111294-72-5 benzoyl-(2-benzoyloxymethyl-benzenesulfonyl)-methyl-amine 
• 99856-70-9 β-(2-carboxy-benzenesulfonylamino)-isobutyric acid 
• 936256-39-2 methyl [2-(methoxycarbonyl)phenylsulfonamido]methylsulfonate 
• 157231-19-1 17β-estradiol 3'-(saccharinylmethyl) ether 
• 134697-03-3 1,1-Dioxo-2-phenoxymethyl-1,2-dihydro-1λ⁶-benzo[d]isothiazol-3-one 

Relevant articles and documents

Retro-ene reactions. III. Alkylation of 4,5-dichloro-1-hydroxymethylpyridazin-6-ones: Synthesis of 4,5-dichloro-1-(ω-phthalimido and saccharin-2′-ylalkyl)pyridazin-6-ones

4,5-Dichloro-1-(ω-phthalimido and saccharinyl-2′-ylalkyl)pyridazin-6-ones were synthesized from 4,5-dichloro-1-hydroxymethylpyridazin-6-one and the corresponding N-(ω-haloalkyl)phthalimides and saccharins via a fragmentation of retro-ene type.

NMR study of the tautomeric behavior of N -(α-Aminoalkyl)tetrazoles

N-(α-Aminoalkyl)tetrazoles exist in solution as equilibrium mixtures of N1 and N2 tautomers. The position of equilibrium depends significantly on the polarity of the solvent and the substituents in the tetrazole ring. Interconversion between individual tautomers is shown to proceed via tight ion-pair intermediates in which intramolecular recombination is faster than the intermolecular crossover since the latter probably requires solvent separation of ion-pair intermediates.

Synthesis and photophysical properties of N-styrylazinones

(Chemical Equation Presented) N-Styrylazinones and 1-styrylbenzotriazine were synthesized, and their photophysical properties were investigated. (Z)- and/or (E)-N-Styrylazinones (or azine) 4 were prepared from the corresponding heterocycles 1 and benzaldehyde (3) by four methods. The absorption maxima of (Z)- and/or (E)-4a - 4j were measured in four solvents. Their absorption maxima showed a moderate dependence upon solvents. The absorption maxima of (Z)-isomers were blue-shifted as compared the corresponding (E)-isomers. Emission maxima, fluorescence band half-widths, 0,0 transition energies, Stokes shifts, and quantum yields of (Z)- and/or (E)-4a, 4b, 4d, 4e and 4j were measured in organic solvents. The fluorescence spectra show moderate solvatochroism. The fluorescence properties of N-styrylheterocycles vary with every heterocycles.