2-Nitromesitylene
[CAS# 603-71-4]

Identification

• Name: 2-Nitromesitylene
• Synonyms: 1,3,5-Trimethyl-2-Nitro-Benzene; Ai3-08879; 2,4,6-Trimethyl-1-Nitrobenzene
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19
• CAS Registry Number: 603-71-4
• EINECS: 210-054-9
• SMILES: C1=C(C(=C(C=C1C)C)[N+](=O)[O-])C
• InChI: 1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
• InChIKey: SCEKDQTVGHRSNS-UHFFFAOYSA-N

Properties

• Density: 1.101g/cm³ (Cal.)
• Boiling point: 256.913°C at 760 mmHg (Cal.)
• Flash point: 86.111°C (Cal.)

References

• (1): Cyrille Costentin, Marc Robert and Jean-Michel Savéant. Reorganization energies and pre-exponential factors in the one-electron electrochemical and homogeneous oxidation of phenols coupled with an intramolecular amine-driven proton transfer, Phys. Chem. Chem. Phys., 2010, 12, 13061.