6-Nitro-3,4-Benzocoumarin
[CAS# 6623-66-1]

Identification

• Name: 6-Nitro-3,4-Benzocoumarin
• Synonyms: 2-Nitro-6-Benzo[C]Isochromenone; 2-Biphenylcarboxylic Acid, 2'-Hydroxy-5'-Nitro-, Delta-Lactone; 2-Nitro-6H-Dibenzo(B,D)Pyran-6-One
• Molecular Formula: C₁₃H₇NO₄
• Molecular Weight: 241.20
• CAS Registry Number: 6623-66-1
• SMILES: C2=C1C3=C(C(=O)OC1=CC=C2[N+](=O)[O-])C=CC=C3
• InChI: 1S/C13H7NO4/c15-13-10-4-2-1-3-9(10)11-7-8(14(16)17)5-6-12(11)18-13/h1-7H
• InChIKey: NSXRBWUONVTXSK-UHFFFAOYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 451.584°C at 760 mmHg (Cal.)
• Flash point: 222.495°C (Cal.)