2-NITROMESITYLENE

Product Name: Nitromesitylene (CAS NO.603-71-4)

Molecular Formula: C₉H₁₁NO₂
Molecular Weight: 165.19g/mol
Mol File: 603-71-4.mol
EINECS: 210-054-9
Melting Point: 41-44 °C(lit.)
Boiling point: 256.9 °C at 760 mmHg
Flash Point: 86.1 °C
Density: 1.1 g/cm³
Surface Tension: 39.2 dyne/cm
Enthalpy of Vaporization: 47.45 kJ/mol
Vapour Pressure: 0.0241 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Nitromesitylene (CAS NO.603-71-4):
  IUPAC Name: 1,3,5-trimethyl-2-nitrobenzene
  Canonical SMILES: CC1=CC(=C(C(=C1)C)[N+](=O)[O-])C
  InChI: InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3 
  InChIKey: SCEKDQTVGHRSNS-UHFFFAOYSA-N
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives

Can explode in preparation. When heated to decomposition it emits toxic fumes of NO_x. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Safety Information of Nitromesitylene (CAS NO.603-71-4):
Hazard Codes: F,Xn
Risk Statements: 11-20/21/22-36/37/38 
11:  Highly Flammable
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: 16-26-36/37/39
16:  Keep away from sources of ignition - No smoking 
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: 1325
WGK Germany: 3
HazardClass: 4.1
PackingGroup: III

 Nitromesitylene , its CAS NO. is 603-71-4, the synonyms are 1,3,5-Trimethyl-2-nitrobenzene ; 2,4,6-Trimethyl-1-nitrobenzene ; 2,4,6-Trimethylnitrobenzene ; 2-Nitromesitylene ; AI3-08879 ; EINECS 210-054-9 ; Mononitromesitylene ; NSC 5413 ; 2-Nitromesitylene ; Benzene, 1,3,5-trimethyl-2-nitro- ; Mesitylene, 2-nitro- (8CI) .