Organofluorine / Alfa Chemistry
1-Tert-butyl-5-(1-fluoroheptylsulfonyl)tetrazole

1-Tert-butyl-5-(1-fluoroheptylsulfonyl)tetrazole

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1-Tert-butyl-5-(1-fluoroheptylsulfonyl)tetrazole
Catalog OFC1236300461
CAS 1236300-46-1
Category Other Fluorinated Group Introducing Agents
Synonyms 1H-Tetrazole, 1-(1,1-dimethylethyl)-5-[(1-fluoroheptyl)sulfonyl]- (ACI)
1-(1,1-Dimethylethyl)-5-[(1-fluoroheptyl)sulfonyl]-1H-tetrazole (ACI)
1-tert-Butyl-5-(1-fluoroheptylsulfonyl)-1H-tetrazole
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C12H23FN4O2S/c1-5-6-7-8-9-10(13)20(18,19)11-14-15-16-17(11)12(2,3)4/h10H,5-9H2,1-4H3
InChI Key MGTYHYBQPKXSBU-UHFFFAOYSA-N
Canonical SMILES CCCCCCC(F)S(=O)(=O)c1nnnn1C(C)(C)C
Molecular Formula C12H23FN4O2S
Molecular Weight 306.407
Boiling Point 422.3 °C
Density 1.23 g/cm3
Appearance Colorless oil
Exact Mass 306.1526

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