124170-23-6

Basic information

• Product Name: 2,3-DIHYDRO-3,3-DIMETHYL-2-FLUORO-1,2-BENZISOTHIAZOLE 1,1-DIOXIDE
• Synonyms: N-FLUORO-2,ALPHA-CUMENESULTAM;2,3-DIHYDRO-3,3-DIMETHYL-2-FLUORO-1,2-BENZISOTHIAZOLE 1,1-DIOXIDE;2-FLUORO-3,3-DIMETHYL-2,3-DIHYDRO-1,2-BENZISOTHIAZOLE 1,1-DIOXIDE;2-fluoro-3,3-dim.-2,3-dihyd-1,2-benziso-thiazole 1,1-dioxide;2-fluoro-3,3-dimethyl-1,2-benzisothiazole-1,1-dioxide;2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide >=98.0% (F)
• CAS NO: 124170-23-6
• Molecular Formula: C₉H₁₀FNO₂S
• Molecular Weight: 215.24
• Mol File: 124170-23-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 115-117 °C
• Boiling Point: 307.6°C at 760 mmHg
• Flash Point: 139.9°C
• Appearance: /
• Density: 1.41g/cm³
• Vapor Pressure: 0.000715mmHg at 25°C
• Refractive Index: 1.59
• Solubility: THF: soluble(lit.)
• PKA: -17.29±0.40(Predicted)
• BRN: 4746973
• CAS DataBase Reference: 2,3-DIHYDRO-3,3-DIMETHYL-2-FLUORO-1,2-BENZISOTHIAZOLE 1,1-DIOXIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-DIHYDRO-3,3-DIMETHYL-2-FLUORO-1,2-BENZISOTHIAZOLE 1,1-DIOXIDE(124170-23-6)
• EPA Substance Registry System: 2,3-DIHYDRO-3,3-DIMETHYL-2-FLUORO-1,2-BENZISOTHIAZOLE 1,1-DIOXIDE(124170-23-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 9
• Hazardous Substances Data: 124170-23-6(Hazardous Substances Data)

Usage

General Description

2,3-Dihydro-3,3-dimethyl-2-fluoro-1,2-benzisothiazole 1,1-dioxide is a chemical compound with the molecular formula C9H10FNO2S. It belongs to the class of benzisothiazole derivatives and contains a fluorine atom attached to the benzene ring. 2,3-DIHYDRO-3,3-DIMETHYL-2-FLUORO-1,2-BENZISOTHIAZOLE 1,1-DIOXIDE has potential applications in the field of medicinal chemistry, particularly in the development of new drugs with antimicrobial, anti-inflammatory, or antitumor properties. Its unique structure and properties make it a valuable building block for the synthesis of new pharmaceutical compounds with improved therapeutic effects. Additionally, it is important to handle this compound with caution, as it may pose potential health hazards if not handled properly.

InChI:InChI=1/C9H10FNO2S/c1-9(2)7-5-3-4-6-8(7)14(12,13)11(9)10/h3-6H,1-2H3

Upstream product

• 102362-98-1 3,3-dimethyl-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide 
• 124170-21-4 2,3-Dihydro-3,3-dimethyl-2-trimethylsilyl-1,2-benzisothiazole 1,1-dioxide 

Downstream Products

• 102362-98-1 3,3-dimethyl-2,3-dihydro-1,2-benzoisothiazole 1,1-dioxide 

Relevant articles and documents

Cross cage interactions in substituted bicyclo[1.1.]pent-1-yl radicals. Dissociation to [1.1.1]propellane

A series of 3-substituted bicyclo[1.1.1]pent-1-yl radicals, including the 3-fluoro derivative, was generated by bromine atom abstraction from 1-bromo-3-substituted-bicyclo[1.1.1]pentanes and examined by EPR spectroscopy. The exceptionally large hyperfine splittings obtained from magnetic nuclei of the 3-substituents indicated that cross cage electronic interactions were substantial in these species. Bromine atom abstraction by triethylsilyl radicals from 1-bromo-3-fluorobicyclo[1.1.1]pentane was found to take place more rapidly than bromine abstraction from the unsubstituted parent, i. e., the fluorine substituent mediated a significant polar effect. Evidence was found of a novel disproportionation process in which the γ-fluorine atom was transferred from the 3-fluoro radical to a triethylsilyl or to a second bicyclo[1.1.1]pent-1-yl radical; an analogous chlorine atom transfer process was found for the 3-chloro radical. Ab initio MO calculations (6-31G* basis with electron correlation up to MP4) on the 3-fluoro- and 3-methyl-substituted radicals indicated that loss of the substituent to give [1.1.1]propellane would be comparatively easy for both species.