Ferric octaethylporphyrin
[CAS# 61085-06-1]

Identification

• Name: Ferric octaethylporphyrin
• Synonyms: Ferric Octaethylporphyrin; Iron, (2,3,7,8,12,13,17,18-Octaethyl-21H,23H-Porphinato(2-)-N21,N22,N23,N24)-, (Sp-4-1)-; Iron,[2,3,7,8,12,13,17,18-Octaethyl-21H,23H-Porphinato(2-)-N21,N22,N23,N24]-
• Molecular Formula: C₃₆H₄₄FeN₄
• Molecular Weight: 588.62
• CAS Registry Number: 61085-06-1
• SMILES: [N-]1C3=C(C(=C1C=C2N=C(C(=C2CC)CC)C=C5[N-]C(=CC4=NC(=C3)C(=C4CC)CC)C(=C5CC)CC)CC)CC.[Fe++]
• InChI: 1S/C36H44N4.Fe/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20H,9-16H2,1-8H3;/q-2;+2
• InChIKey: ITAAUOKPOOKZDV-UHFFFAOYSA-N

Properties

• Boiling point: 804.9°C at 760 mmHg (Cal.)
• Flash point: 335.1°C (Cal.)