Trichloroacetyl isocyanate, NMR grade, Thermo Scientific Chemicals

Description

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

For NMR

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
• IUPAC Name: 2,2,2-trichloroacetyl isocyanate
• SMILES: ClC(Cl)(Cl)C(=O)N=C=O

• Color: Colorless to Yellow
• Density: 1.5900g/mL
• Boiling Point: 80.0°C to 85.0°C (20.0 mmHg)
• Flash Point: 65°C
• Infrared Spectrum: Authentic
• Packaging: Glass bottle
• Linear Formula: CCl₃CONCO
• Refractive Index: 1.4799 to 1.4819
• Quantity: 2 g
• Fieser: 02,425; 07,382
• Specific Gravity: 1.59
• Solubility Information: Solubility in water: decomposes
• Formula Weight: 188.4
• Percent Purity: ≥97%
• Physical Form: Liquid
• Chemical Name or Material: Trichloroacetyl isocyanate

RUO – Research Use Only