Tetrakis(Acetoxymethyl) 4,4'-[1,4,10,13-Tetraoxa-7,16-Diazacyclooctadecane-7,16-Diylbis(5-Methoxy-1-Benzofuran-6,2-Diyl)]Diisophthalate
[CAS# 124549-23-1]

Identification

• Name: Tetrakis(Acetoxymethyl) 4,4'-[1,4,10,13-Tetraoxa-7,16-Diazacyclooctadecane-7,16-Diylbis(5-Methoxy-1-Benzofuran-6,2-Diyl)]Diisophthalate
• Synonyms: PBFI-AM; 76275_FLUKA
• Molecular Formula: C₅₈H₆₂N₂O₂₄
• Molecular Weight: 1171.11
• CAS Registry Number: 124549-23-1
• SMILES: O=C(OCOC(=O)c1ccc(c(C(=O)OCOC(=O)C)c1)c3oc2cc(c(OC)cc2c3)N7CCOCCOCCN(c6cc5oc(c4ccc(C(=O)OCOC(=O)C)cc4C(=O)OCOC(=O)C)cc5cc6OC)CCOCCOCC7)C
• InChI: 1S/C58H62N2O24/c1-35(61)75-31-79-55(65)39-7-9-43(45(23-39)57(67)81-33-77-37(3)63)51-25-41-27-53(69-5)47(29-49(41)83-51)59-11-15-71-19-21-73-17-13-60(14-18-74-22-20-72-16-12-59)48-30-50-42(28-54(48)70-6)26-52(84-50)44-10-8-40(56(66)80-32-76-36(2)62)24-46(44)58(68)82-34-78-38(4)64/h7-10,23-30H,11-22,31-34H2,1-6H3
• InChIKey: AUKRBWNSOWVABU-UHFFFAOYSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 1136.644°C at 760 mmHg (Cal.)
• Flash point: 641.219°C (Cal.)
• Refractive index: 1.559 (Cal.)