Trichloroacetyl isocyanate
ALDRICH/217328 - 96%
Synonym: 2,2,2-
CAS Number: 3019-71-4
Empirical Formula (Hill Notation): C3Cl3NO2
Molecular Weight: 188.40
EC Number: 221-165-7
MDL Number: MFCD00002033
Linear Formula: Cl3CCONCO
Product Type: Chemical
assay | 96% |
bp | 80-85 °C/20 mmHg (lit.) |
density | 1.581 g/mL at 25 °C (lit.) |
InChI | 1S/C3Cl3NO2/c4-3(5,6)2(9) |
InChI key | GRNOZCCBOFGDCL-UHFFFAOYSA |
Quality Level | 200 |
refractive index | n |
SMILES string | ClC(Cl)(Cl)C(=O)N=C=O |
storage temp. | 2-8°C |
Application: | Trichloroacetyl isocyanate was used in catalytic one-pot dehydrative glycosylation of 1-hydroxy carbohydrate. It was also used as a reagent for the conversion of alcohols to carbamates†. |
General description: | 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- |
Packaging: | 1, 10 g in ampule |
Symbol | GHS05,GHS06,GHS08 |
Signal word | Danger |
Hazard statements | H311 + H331 - H314 - H317 - H334 |
Precautionary statements | P261 - P271 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
Hazard Codes | T |
Risk Statements | 14-23/24-34-42 |
Safety Statements | 23-26-36/37/39-45 |
RIDADR | UN 2206PSN1B 6.1 / PGIII |
WGK Germany | WGK 3 |
Flash Point(F) | 150.8 °F - closed cup |
Flash Point(C) | 66 °C - closed cup |
Supplemental Hazard Statements | EUH014 |
Purity | 96% |
bp | 80-85 °C/20 mmHg (lit.) |
Density | 1.581 g/mL at 25 °C (lit.) |
Refractive Index | n |
Storage Temp. | 2-8°C |
UNSPSC | 12352100 |