2,4-Dinitrophenyl Ferrocene
[CAS# 12091-84-8]

Identification

• Name: 2,4-Dinitrophenyl Ferrocene
• Synonyms: Ferrous; Cyclopenta-1,3-Diene; 1-(1-Cyclopenta-2,4-Dienyl)-2,4-Dinitro-Benzene; Ferrous; Cyclopenta-1,3-Diene; 1-(1-Cyclopenta-2,4-Dienyl)-2,4-Dinitrobenzene
• Molecular Formula: C₁₆H₁₃FeN₂O₄
• Molecular Weight: 353.14
• CAS Registry Number: 12091-84-8
• SMILES: C1=C([N+]([O-])=O)C(=CC=C1[N+]([O-])=O)C2=C[CH-]C=C2.C3C=CC=C3.[Fe++]
• InChI: 1S/C11H7N2O4.C5H6.Fe/c14-12(15)9-5-6-10(8-3-1-2-4-8)11(7-9)13(16)17;1-2-4-5-3-1;/h1-7H;1-4H,5H2;/q-1;;+2
• InChIKey: PXMZYOKVPLWGAR-UHFFFAOYSA-N

Properties

• Boiling point: 361.7°C at 760 mmHg (Cal.)
• Flash point: 174.1°C (Cal.)