[2-Hydroxy-1-Methoxy-2-Methyl-1-(4-Phenylphenyl)Propyl] 3,5-Dinitrobenzoate
[CAS# 6976-21-2]

Identification

• Name: [2-Hydroxy-1-Methoxy-2-Methyl-1-(4-Phenylphenyl)Propyl] 3,5-Dinitrobenzoate
• Synonyms: 3,5-Dinitrobenzoic Acid [2-Hydroxy-1-Methoxy-2-Methyl-1-(4-Phenylphenyl)Propyl] Ester; Nsc24814
• Molecular Formula: C₂₄H₂₂N₂O₈
• Molecular Weight: 466.45
• CAS Registry Number: 6976-21-2
• SMILES: C1=CC=CC=C1C2=CC=C(C=C2)C(C(C)(C)O)(OC(=O)C3=CC(=CC(=C3)[N+]([O-])=O)[N+]([O-])=O)OC
• InChI: 1S/C24H22N2O8/c1-23(2,28)24(33-3,19-11-9-17(10-12-19)16-7-5-4-6-8-16)34-22(27)18-13-20(25(29)30)15-21(14-18)26(31)32/h4-15,28H,1-3H3
• InChIKey: QCXAQAKELJMHKQ-UHFFFAOYSA-N

Properties

• Density: 1.341g/cm³ (Cal.)
• Boiling point: 659.736°C at 760 mmHg (Cal.)
• Flash point: 352.796°C (Cal.)