Trichloroacetyl isocyanate

Conformational stability and vibrational IR and Raman spectra of trichloroacetyl isocyanate has been investigated. Trichloroacetyl isocyanate is commonly employed as in situ derivatizing reagent for the 13C NMR studies of alcohols, phenols and amines. It undergoes 1,5-cycloaddition reaction with anhydro-2-deoxy-D-erythro- and -L-threo-pent-1-enitols and 1,5-anhydro-2-deoxy-D- and -L-arabino-hex-1-enitols to yield [2+2] and [4+2] cycloadducts.

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Catalog Number CBB1112933
Molecular Formula Cl3CCONCO
CAS# 3019-71-4
Purity >96%
Inchi 1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8
Inchi Key GRNOZCCBOFGDCL-UHFFFAOYSA-N
SMILES ClC(Cl)(Cl)C(=O)N=C=O
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