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186204-66-0

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186204-66-0 Structure

186204-66-0 Structure
IdentificationBack Directory
[Name]

2-((Difluoromethyl)sulfonyl)benzo[d]thiazole, 98%
[CAS]

186204-66-0
[Synonyms]

2-[(Difluoromethyl)sulfonyl]benzothiazole
2-Benzo[d]thiazolyl difluoromethylsulfone
Benzothiazole, 2-[(difluoromethyl)sulfonyl]-
2-((Difluoromethyl)sulfonyl)benzo[d]thiazole, 98%
[Molecular Formula]

C8H5F2NO2S2
[MDL Number]

MFCD01831028
[MOL File]

186204-66-0.mol
[Molecular Weight]

249.26
Chemical PropertiesBack Directory
[Melting point ]

133-135 °C
[Boiling point ]

348.4±52.0 °C(Predicted)
[density ]

1.564±0.06 g/cm3(Predicted)
[pka]

-3.17±0.10(Predicted)
[InChI]

InChI=1S/C8H5F2NO2S2/c9-7(10)15(12,13)8-11-5-3-1-2-4-6(5)14-8/h1-4,7H
[InChIKey]

SHKGYNFSRWBSDZ-UHFFFAOYSA-N
[SMILES]

S1C2=CC=CC=C2N=C1S(C(F)F)(=O)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Questions And AnswerBack Directory
[Application]

In the pharmaceutical field, difluoromethyl (2-benzothiazolyl) sulfone can be used as a synthetic intermediate for novel drugs; in the pesticide field, its highly effective insecticidal and fungicidal effects have also attracted much attention.
Hazard InformationBack Directory
[Definition]

The first reduction potentials of 2-((Difluoromethyl)sulfonyl)benzo[d]thiazole is -1.17 V. DMSO as the optimal solvent, a comparison of the reactions of sulfones 2 a–2 d with isocyanide 1 a showed that their reactivity was in line with their reduction potentials, and 2-((Difluoromethyl)sulfonyl) benzo[d]thiazole, with the highest reduction potential, gave the best result.
2-((Difluoromethyl)sulfonyl)benzo[d]thiazole, 98%
[Reactions]

Difluoromethylation of isocyanides with 2-((Difluoromethyl)sulfonyl)benzo[d]thiazole (2-Benzo[d]thiazolyl difluoromethyl sulfone):
2-((Difluoromethyl)sulfonyl)benzo[d]thiazole, 98%
[References]

[1] JIAN RONG. Radical Fluoroalkylation of Isocyanides with Fluorinated Sulfones by Visible-Light Photoredox Catalysis[J]. Angewandte Chemie International Edition, 2016, 558: 2743-2747. DOI:10.1002/anie.201510533.
Spectrum DetailBack Directory
[Spectrum Detail]

2-((Difluoromethyl)sulfonyl)benzo[d]thiazole, 98%(186204-66-0)1HNMR
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