Trichloroacetyl isocyanate

Product Name: Acetyl isocyanate,2,2,2-trichloro- (CAS NO.3019-71-4)

Molecular Formula: C₃Cl₃NO₂
Molecular Weight: 188.4g/mol
Mol File: 3019-71-4.mol
EINECS: 221-165-7
Boiling point: 80-85 °C20 mm Hg(lit.)
Storage Temperature: 2-8°C
Flash Point: 65.6 °C
Density: 1.581 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.480(lit.)
Water Solubility: Decomposition
Sensitive: Moisture Sensitive
Surface Tension: 51.1 dyne/cm
Enthalpy of Vaporization: 42.22 kJ/mol
Vapour Pressure: 0.677 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Acetyl isocyanate,2,2,2-trichloro- (CAS NO.3019-71-4):
  IUPAC Name: 2,2,2-trichloroacetyl isocyanate
  Canonical SMILES: C(=NC(=O)C(Cl)(Cl)Cl)=O
  InChI: InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8 
  InChIKey: GRNOZCCBOFGDCL-UHFFFAOYSA-N
Product Categories: Organics; Isocyanates; Nitrogen Compounds; Organic Building Blocks 

Safety Information of Acetyl isocyanate,2,2,2-trichloro- (CAS NO.3019-71-4):
Hazard Codes: T
Risk Statements: 14-23/24-34-42-23/24/25-36/37/38 
14:  Reacts violently with water
23:  Toxic by inhalation 
24:  Toxic in contact with skin 
25:  Toxic if swallowed 
26:  Very Toxic by inhalation 
34:  Causes burns 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
42:  May cause sensitization by inhalation 
Safety Statements: 23-26-36/37/39-45-8-7/9
7:  Keep container tightly closed 
8:  Keep container dry 
9:  Keep container in a well-ventilated place 
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) 
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:  Wear suitable protective clothing  
37:  Wear suitable gloves  
39:  Wear eye/face protection 
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
RIDADR : UN 2206 6.1/PG 3
WGK Germany: 3
F: 10-19
HazardClass: 6.1
PackingGroup: II  

 Acetyl isocyanate,2,2,2-trichloro- , its CAS NO. is 3019-71-4, the synonyms are EINECS 221-165-7 ; Acetyl isocyanate, trichloro- ; Trichloroacetyl isocyanate .