2-Methyl-3-nitrobenzotrifluoride

Product Name: 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1)

Molecular Formula: C₈H₆F₃NO₂
Molecular Weight: 205.13g/mol
Mol File: 6656-49-1.mol
EINECS: 229-688-2
Boiling point: 202.8 °C at 760 mmHg
Flash Point: 76.4 °C
Density: 1.357 g/cm³
Surface Tension: 31.4 dyne/cm
Enthalpy of Vaporization: 42.1 kJ/mol
Vapour Pressure: 0.409 mmHg at 25°C
XLogP3-AA: 3.3
H-Bond Donor: 0
H-Bond Acceptor: 5
Structure Descriptors of 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1):
  IUPAC Name: 2-methyl-1-nitro-3-(trifluoromethyl)benzene
  Canonical SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(F)(F)F
  InChI: InChI=1S/C8H6F3NO2/c1-5-6(8(9,10)11)3-2-4-7(5)12(13)14/h2-4H,1H3
  InChIKey: KQUQBPVYIURTNZ-UHFFFAOYSA-N
Product Categories: Trifluoromethylbenzene serise

Safety Information of 2-Methyl-3-nitrobenzotrifluoride (CAS NO.6656-49-1):
Hazard Codes: Xi,T
Risk Statements: 20/21/22-36/37/38-25
20:  Harmful by inhalation 
21:  Harmful in contact with skin 
22:  Harmful if swallowed   
25:  Toxic if swallowed  
36:  Irritating to the eyes 
37:  Irritating to the respiratory system 
38:  Irritating to the skin
Safety Statements: 23-26-36/37/39-60-45-36/37-20-36
20:  When using, do not eat or drink
23:  Do not breathe
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) 
60:  This material and/or its container must be disposed of as hazardous waste 

 2-Methyl-3-nitrobenzotrifluoride , its CAS NO. is 6656-49-1, the synonym is alpha,alpha,alpha-Trifluoro-3-nitro-o-xylene .