N-[(3-Methylphenyl)Methylene]-4-Nitro-Benzenamine
[CAS# 62453-03-6]

Identification

• Name: N-[(3-Methylphenyl)Methylene]-4-Nitro-Benzenamine
• Synonyms: (4-Methylbenzylidene)-(4-Nitrophenyl)Amine; N-[(E)-(4-Methylphenyl)Methylidene]-4-Nitroaniline; Benzenamine, N-((3-Methylphenyl)Methylene)-4-Nitro-
• Molecular Formula: C₁₄H₁₂N₂O₂
• Molecular Weight: 240.26
• CAS Registry Number: 62453-03-6
• SMILES: C1=CC(=CC=C1N=CC2=CC=C(C=C2)C)[N+](=O)[O-]
• InChI: 1S/C14H12N2O2/c1-11-2-4-12(5-3-11)10-15-13-6-8-14(9-7-13)16(17)18/h2-10H,1H3
• InChIKey: PZHYCUFBBDDVKW-UHFFFAOYSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 407.815°C at 760 mmHg (Cal.)
• Flash point: 200.439°C (Cal.)

References

• (1): Neuvonen H, Neuvonen K, Fülöp F. Substituent cross-interaction effects on the electronic character of the C=N bridging group in substituted benzylidene anilines - Models for molecular cores of mesogenic compounds. A 13C NMR study and comparison with theoretical results, Journal of Organic Chemistry, 2006, 71(8), 3141-3148