IUPAC Name: | 2,2,2-trichloroacetyl isocyanate |
Description: | Trichloroacetyl isocyanate (CAS# 3019-71-4) is used as an in situ derivatizing reagent for characterization of alcohols, glycols, phenols, and amines by nuclear magnetic resonance (NMR). |
Molecular Weight: | 188.40 |
Molecular Formula: | C3Cl3NO2 |
Canonical SMILES: | C(=NC(=O)C(Cl)(Cl)Cl)=O |
InChI: | InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8 |
InChI Key: | GRNOZCCBOFGDCL-UHFFFAOYSA-N |
Boiling Point: | 80-85 °C (20 mmHg) |
Purity: | 98 % |
Density: | 1.581 g/cm3 |
Appearance: | Liquid |
Storage: | 2-8 °C |
MDL: | MFCD00002033 |
LogP: | 1.21900 |
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