Trichloroacetyl isocyanate, NMR grade

Description

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

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
• Refractive Index: 1.4799 to 1.4819
• Linear Formula: CCl₃CONCO
• Quantity: 50 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

Safety and Handling

Hazard Category	GHS Signal Word: Danger
Hazard Statement	GHS H Statement: May cause allergy or asthma symptoms or breathing difficulties if inhaled. Toxic if swallowed. Causes severe skin burns and eye damage. Toxic in contact with skin. Toxic if inhaled. Reacts violently with water.
Precautionary Statement	GHS P Statement: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Wear protective gloves/protective clothing/eye protection/face protection. IF ON SKIN: Gently wash with plenty of soap and water. IF SWALLOWED: rinse mouth. Do NOT induce vomiting. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Avoid breathing dust/fume/gas/mist/vapors/spray. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing. Store in a dry place. Store in a closed container. WARNING: The information provided on this web site was developed in compliance with European Union (EU) regulations and is correct to the best of our knowledge, information and belief at the date of its publication. The information given is designed only as a guide for safe handling and use. It is not to be considered as either a warranty or quality specification.
EINECSNumber	221-165-7
TSCA	TSCA

SDS

RUO – Research Use Only