1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 1,4-Butanediol And Hexahydro-1,3-Isobenzofurandione
[CAS# 68133-51-7]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 1,4-Butanediol And Hexahydro-1,3-Isobenzofurandione
• Synonyms: 3A,4,5,6,7,7A-Hexahydroisobenzofuran-1,3-Dione; Butane-1,4-Diol; Isophthalic Acid; Terephthalic Acid; 3A,4,5,6,7,7A-Hexahydroisobenzofuran-1,3-Quinone; Butane-1,4-Diol
• Molecular Formula: C₂₈H₃₂O₁₃
• Molecular Weight: 576.55
• CAS Registry Number: 68133-51-7
• SMILES: O=C1OC(=O)C2C1CCCC2.C3=C(C=CC=C3C(=O)O)C(=O)O.C4=C(C=CC(=C4)C(=O)O)C(=O)O.C(CCO)CO
• InChI: 1S/2C8H6O4.C8H10O3.C4H10O2/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;9-7-5-3-1-2-4-6(5)8(10)11-7;5-3-1-2-4-6/h2*1-4H,(H,9,10)(H,11,12);5-6H,1-4H2;5-6H,1-4H2
• InChIKey: KFOVJGASVZDTPW-UHFFFAOYSA-N

Properties

• Boiling point: 392.4°C at 760 mmHg (Cal.)
• Flash point: 205.3°C (Cal.)