2,4-Bis(glycol)iron deuteroporphyrin
[CAS# 119722-97-3]

Identification

• Name: 2,4-Bis(glycol)iron deuteroporphyrin
• Synonyms: Iron Deuteroporphyrin 2,4-Bis(Glycol); 2,4-Bis(Glycol)Iron Deuteroporphyrin
• Molecular Formula: C₃₄H₃₆FeN₄O₈
• Molecular Weight: 684.53
• CAS Registry Number: 119722-97-3
• SMILES: [N-]3C4=CC5=NC(=CC1=C(C(=C([N-]1)C=C2N=C(C(=C2C)C(O)CO)C=C3C(=C4C(O)CO)C)C)CCC([O-])=O)C(=C5C)CCC([O-])=O.[H+].[H+].[Fe++]
• InChI: 1S/C34H38N4O8.Fe/c1-15-19(5-7-31(43)44)25-12-26-20(6-8-32(45)46)16(2)22(36-26)10-27-34(30(42)14-40)18(4)24(38-27)11-28-33(29(41)13-39)17(3)23(37-28)9-21(15)35-25;/h9-12,29-30,39-42H,5-8,13-14H2,1-4H3,(H4,35,36,37,38,43,44,45,46);/q;+2/p-2
• InChIKey: CIWHHGCFJOJITA-UHFFFAOYSA-L

Properties

• Boiling point: 1301.6°C at 760 mmHg (Cal.)
• Flash point: 741°C (Cal.)