Nitroaniline
[CAS# 29757-24-2]

Identification

• Name: Nitroaniline
• Synonyms: Ammonia; 1-Methyl-4-Nitro-Benzene; 2-Nitroaniline; 3-Nitroaniline; Ammonia; 1-Methyl-4-Nitrobenzene
• Molecular Formula: C₁₉H₂₂N₆O₆
• Molecular Weight: 430.42
• CAS Registry Number: 29757-24-2
• SMILES: N.C1=C(C=CC(=C1)[N+]([O-])=O)C.C2=C([N+]([O-])=O)C(=CC=C2)N.C3=C(N)C=CC=C3[N+]([O-])=O
• InChI: 1S/C7H7NO2.2C6H6N2O2.H3N/c1-6-2-4-7(5-3-6)8(9)10;7-5-2-1-3-6(4-5)8(9)10;7-5-3-1-2-4-6(5)8(9)10;/h2-5H,1H3;2*1-4H,7H2;1H3
• InChIKey: JPSBDEKDVCCMJP-UHFFFAOYSA-N

Properties

• Boiling point: 238°C at 760 mmHg (Cal.)
• Flash point: 106.1°C (Cal.)