2-Nitro-4-(trifluoromethyl)benzonitrile

Product Name: 2-Nitro-4-(trifluoromethyl)benzonitrile (CAS NO.778-94-9)

Molecular Formula: C₈H₃F₃N₂O₂
Molecular Weight: 216.12g/mol
Mol File: 778-94-9.mol
EINECS: 212-298-1
Melting Point: 44-47 °C(lit.)
Boiling point: 280.4 °C at 760 mmHg
Flash Point: 127.5 °C
Density: 1.49 g/cm³
Surface Tension: 44.2 dyne/cm
Enthalpy of Vaporization: 51.92 kJ/mol
Vapour Pressure: 0.00379 mmHg at 25°C
XLogP3-AA: 1.9
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of 2-Nitro-4-(trifluoromethyl)benzonitrile (CAS NO.778-94-9):
  IUPAC Name: 2-nitro-4-(trifluoromethyl)benzonitrile
  Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N
  InChI: InChI=1S/C8H3F3N2O2/c9-8(10,11)6-2-1-5(4-12)7(3-6)13(14)15/h1-3H
  InChIKey: BQCWLXXZTCLGSZ-UHFFFAOYSA-N
Product Categories: C8 to C9; Cyanides/Nitriles; Nitrogen Compounds

Safety Information of 2-Nitro-4-(trifluoromethyl)benzonitrile (CAS NO.778-94-9):
Hazard Codes: Xi,T,Xn
Risk Statements: 36/37/38-20/21/22 
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed 
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin 
Safety Statements: 26-36-36/37/39
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 
RIDADR: 3276
WGK Germany: 3
Hazard Note: Harmful
HazardClass: 6.1
PackingGroup: III

 2-Nitro-4-(trifluoromethyl)benzonitrile , its CAS NO. is 778-94-9, the synonym is EINECS 212-298-1 .