2,3,5,7,8,10-Porphyrinhexacarboxylic acid
[CAS# 28100-67-6]

Identification

• Name: 2,3,5,7,8,10-Porphyrinhexacarboxylic acid
• Synonyms: Porphinehexacarboxylic acid; porphyrin, hexacarboxy-
• Molecular Formula: C₂₆H₁₄N₄O₁₂
• Molecular Weight: 574.41
• CAS Registry Number: 28100-67-6
• SMILES: OC(=O)c3c5nc(c(c4nc(cc1/C=C\c(n1)cc2ccc3n2)c(C(O)=O)c4C(O)=O)C(O)=O)\C(=C5\C(O)=O)C(O)=O
• InChI: 1S/C26H14N4O12/c31-21(32)12-11-6-9-2-1-7(27-9)5-8-3-4-10(28-8)13(22(33)34)18-15(24(37)38)16(25(39)40)20(30-18)17(26(41)42)19(29-11)14(12)23(35)36/h1-6,28-29H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)/b7-5-,8-5-,9-6-,11-6-,13-10+,18-13+,19-17+,20-17+
• InChIKey: YJLRYIXCVKJSND-WJDOAZLMSA-N

Properties

• Density: 1.916g/cm³ (Cal.)
• Boiling point: 1392.738°C at 760 mmHg (Cal.)
• Flash point: 796.099°C (Cal.)
• Refractive index: 1.819 (Cal.)