3,5-Dinitro-Benzoic Acid Pentyl Ester
[CAS# 10478-03-2]

Identification

• Name: 3,5-Dinitro-Benzoic Acid Pentyl Ester
• Synonyms: 3,5-Dinitrobenzoic Acid Pentyl Ester; 3,5-Dinitrobenzoic Acid Amyl Ester; Benzoic Acid, 3,5-Dinitro-, Pentyl Ester
• Molecular Formula: C₁₂H₁₄N₂O₆
• Molecular Weight: 282.25
• CAS Registry Number: 10478-03-2
• SMILES: C1=C(C=C(C=C1C(OCCCCC)=O)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C12H14N2O6/c1-2-3-4-5-20-12(15)9-6-10(13(16)17)8-11(7-9)14(18)19/h6-8H,2-5H2,1H3
• InChIKey: KVRKVNNGYVWNGH-UHFFFAOYSA-N

Properties

• Density: 1.3g/cm³ (Cal.)
• Boiling point: 401.669°C at 760 mmHg (Cal.)
• Flash point: 169.548°C (Cal.)