Trichloroacetyl isocyanate, 97%

Description

CAS: 3019-71-4 | C3Cl3NO2 | 188.39 g/mol

Trichloroacetyl isocyanate is used as an in-situ derivatizing reagent for characterization of alcohols, glycols, phenols, and amines by nuclear magnetic resonance. It is also used in anion chemical ionization mass spectrometry and in catalytic one-pot dehydrative glycosylation of 1-hydroxy carbohydrate. Further, it serves as a reagent for the conversion of alcohols into carbamates.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Trichloroacetyl isocyanate is used as an in-situ derivatizing reagent for characterization of alcohols, glycols, phenols, and amines by nuclear magnetic resonance. It is also used in anion chemical ionization mass spectrometry and in catalytic one-pot dehydrative glycosylation of 1-hydroxy carbohydrate. Further, it serves as a reagent for the conversion of alcohols into carbamates.

Solubility
Miscible with dichloromethane, ether, terahydrofuran and protic solvents.

Notes
Moisture sensitive. Store in a cool place. Keep the container tightly closed in a dry and well-ventilated place. Incompatible with acids and strong oxidizing agents.

Specifications

Chemical Identifiers

• CAS: 3019-71-4
• Molecular Formula: C3Cl3NO2
• Molecular Weight (g/mol): 188.39
• MDL Number: MFCD00002033
• InChI Key: GRNOZCCBOFGDCL-UHFFFAOYSA-N
• Synonym: trichloroacetyl isocyanate, acetyl isocyanate, trichloro, trichloroacetylisocyanate, isocyanic acid trichloroacetyl ester, unii-qxv1p5j6jl, qxv1p5j6jl, acetyl isocyanate, 2,2,2-trichloro, 2,2,2-trichloroethanecarbonyl isocyanate, trichloroethanecarbonyl isocyanate, trichloroacetyl isocyanate, nmr grade
• PubChem CID: 76400
• SMILES: ClC(Cl)(Cl)C(=O)N=C=O

• Density: 1.585
• Boiling Point: 58°C to 60°C (20 mmHg)
• Flash Point: 65°C (149°F)
• Odor: Acrid
• Refractive Index: 1.48
• Quantity: 50 g
• UN Number: UN2927
• Beilstein: 971201
• Sensitivity: Moisture sensitive
• Solubility Information: Miscible with dichloromethane,ether,terahydrofuran and protic solvents.
• IUPAC Name: 2,2,2-trichloroacetyl isocyanate
• Formula Weight: 188.4
• Percent Purity: 97%
• Chemical Name or Material: Trichloroacetyl isocyanate

Safety and Handling

Hazard Category	H227-H301+H311+H331-H314-H318-H334-H335
Hazard Statement	GHS H Statement H330-H334-H314-H318-H227 Fatal if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Causes severe skin burns and eye damage. Causes serious eye damage. Combustible liquid.
Precautionary Statement	P210-P233-P240-P241-P242-P243-P261-P264b-P270-P271-P280-P285-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P310-P311-P312-P330-P331-P363-P374-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: II; Proper Shipping Name: TOXIC LIQUIDS, CORROSIVE, ORGANIC, N.O.S.
EINECSNumber	221-165-7
TSCA	Yes
Recommended Storage	Keep cold

SDS

RUO – Research Use Only