TRICHLOROACETYL ISOCYANATE 96% (C005B-030443)

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-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.

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†.

Molecular Weight: 188.40. Empirical Formula: C₃Cl₃NO₂. linearFormula: Cl₃CCONCO. Quality Level: 200. Assay: 96%. refractive index: n20/D 1.480 (lit.). bp: 80-85 . °C/20 . mmHg (lit.). density: 1.581 . g/mL . at 25 . °C (lit.). storage temp.: 2-8°C. SMILES string: ClC(Cl)(Cl)C(: O)N: C: O. InChI: 1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8. InChI key: GRNOZCCBOFGDCL-UHFFFAOYSA-N. Pictograms: 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 Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1. Storage Class Code: 6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials. WGK: WGK 3. Flash Point(F): 150.8 °F - closed cup. Flash Point(C): 66 °C - closed cup. Personal Protective Equipment: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter.