3,5-Dinitro-Ortho-Cresol
[CAS# 497-56-3]

Identification

• Name: 3,5-Dinitro-Ortho-Cresol
• Synonyms: 2-Methyl-3,5-Dinitro-Phenol; Ai3-00158; Ccris 3141
• Molecular Formula: C₇H₆N₂O₅
• Molecular Weight: 198.13
• CAS Registry Number: 497-56-3
• SMILES: C1=C([N+]([O-])=O)C(=C(O)C=C1[N+]([O-])=O)C
• InChI: 1S/C7H6N2O5/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,10H,1H3
• InChIKey: KSHJAFFDLKPUMT-UHFFFAOYSA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 350.815°C at 760 mmHg (Cal.)
• Flash point: 158.216°C (Cal.)