4-Benzoyl-3-Nitro-1,2-Phenylene Dibutanoate
[CAS# 383382-83-0]

Identification

• Name: 4-Benzoyl-3-Nitro-1,2-Phenylene Dibutanoate
• Molecular Formula: C₂₁H₂₁NO₇
• Molecular Weight: 399.39
• CAS Registry Number: 383382-83-0
• SMILES: O=C(Oc1c(c(ccc1OC(=O)CCC)C(=O)c2ccccc2)[N+]([O-])=O)CCC
• InChI: 1S/C21H21NO7/c1-3-8-17(23)28-16-13-12-15(20(25)14-10-6-5-7-11-14)19(22(26)27)21(16)29-18(24)9-4-2/h5-7,10-13H,3-4,8-9H2,1-2H3
• InChIKey: NHLVCFHQFCMAJR-UHFFFAOYSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 570.452°C at 760 mmHg (Cal.)
• Flash point: 223.959°C (Cal.)
• Refractive index: 1.561 (Cal.)