Trichloroacetyl isocyanate, NMR grade, Thermo Scientific Chemicals

Product Code	Brand	Quantity	Packaging
10678314	Thermo Scientific Acros 202900020	2 g	Glass bottle
10636232	Thermo Scientific Acros 202900100	10 g	Glass bottle
13498458	Thermo Scientific Acros 202900500	50 g	Glass bottle

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

Chemical Identifiers

• CAS: 3019-71-4
• Molecular Weight (g/mol): 188.39
• InChI Key: GRNOZCCBOFGDCL-UHFFFAOYSA-N
• PubChem CID: 76400
• SMILES: ClC(Cl)(Cl)C(=O)N=C=O

• Molecular Formula: C3Cl3NO2
• MDL Number: MFCD00002033
• 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
• IUPAC Name: 2,2,2-trichloroacetyl isocyanate

Specifications

• CAS: 3019-71-4
• Density: 1.5900g/mL
• Flash Point: 65°C
• Molecular Formula: C3Cl3NO2
• Refractive Index: 1.4799 to 1.4819
• Fieser: 02,425; 07,382
• 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
• InChI Key: GRNOZCCBOFGDCL-UHFFFAOYSA-N
• IUPAC Name: 2,2,2-trichloroacetyl isocyanate
• PubChem CID: 76400
• Percent Purity: ≥97%
• Chemical Name or Material: Trichloroacetyl isocyanate

• Color: Colorless to Yellow
• Boiling Point: 80.0°C to 85.0°C (20.0 mmHg)
• Infrared Spectrum: Authentic
• Linear Formula: CCl₃CONCO
• MDL Number: MFCD00002033
• Specific Gravity: 1.59
• Solubility Information: Solubility in water: decomposes
• SMILES: ClC(Cl)(Cl)C(=O)N=C=O
• Molecular Weight (g/mol): 188.39
• Formula Weight: 188.4
• Physical Form: Liquid

Safety and Handling

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.

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.

GHS Signal Word: Danger

missing translation for 'einecsNumber' : 221-165-7

missing translation for 'tsca' : TSCA

RUO – Research Use Only