Organofluorine / Alfa Chemistry
[(1,1-Dimethylethoxy)carbonyl](2,2,2-trifluoroethyl)azanyl 4-cyanobenzoate

[(1,1-Dimethylethoxy)carbonyl](2,2,2-trifluoroethyl)azanyl 4-cyanobenzoate

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[(1,1-Dimethylethoxy)carbonyl](2,2,2-trifluoroethyl)azanyl 4-cyanobenzoate
Catalog OFC2760510174
CAS 2760510-17-4
Category Other Fluorinated Group Introducing Agents
Synonyms Benzoic acid, 4-cyano-, [(1,1-dimethylethoxy)carbonyl](2,2,2-trifluoroethyl)azanyl ester
tert-butyl ((4-cyanobenzoyl)oxy)(2,2,2-trifluoroethyl)carbamate
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Other Identifiers Chemical Data Computational Chemistry
InChI InChI=1S/C15H15F3N2O4/c1-14(2,3)23-13(22)20(9-15(16,17)18)24-12(21)11-6-4-10(8-19)5-7-11/h4-7H,9H2,1-3H3
InChI Key OVRNZEHIBVCWDQ-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)OC(=O)N(CC(F)(F)F)OC(=O)c1ccc(C#N)cc1
Molecular Formula C15H15F3N2O4
Molecular Weight 344.289
Melting Point 98-100 °C
Boiling Point 386.899 °C
Density 1.32 g/cm3
Appearance White solid
Exact Mass 344.0984

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