Ferric Oxochlorin
[CAS# 117828-52-1]

Identification

• Name: Ferric Oxochlorin
• Synonyms: Iron(Iii) Oxochlorin
• Molecular Formula: C₃₂H₃₁FeN₄O₅
• Molecular Weight: 607.47
• CAS Registry Number: 117828-52-1
• SMILES: N1=C4C(=O)C(C1=CC2=C(C(=C([N-]2)C=C3N=C(C(=C3C)CCC([O-])=O)C=C5[N-]C(=C4)C(=C5CCC([O-])=O)C)C)C)(C)C.[H+].[Fe+3]
• InChI: 1S/C32H34N4O5.Fe/c1-15-16(2)24-14-28-32(5,6)31(41)27(36-28)12-23-18(4)20(8-10-30(39)40)26(35-23)13-25-19(7-9-29(37)38)17(3)22(34-25)11-21(15)33-24;/h11-14H,7-10H2,1-6H3,(H4,33,34,35,36,37,38,39,40,41);/q;+3/p-3
• InChIKey: UOLSFSCUPLGSPR-UHFFFAOYSA-K

Properties

• Boiling point: 777°C at 760 mmHg (Cal.)
• Flash point: 423.7°C (Cal.)