Benzene-1,3-Dicarboxylic Acid
[CAS# 60450-78-4]

Identification

• Name: Benzene-1,3-Dicarboxylic Acid
• Synonyms: Butane-1,4-Diol; Dodecanedioic Acid; Isophthalic Acid; Terephthalic Acid; 1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 1,4-Butanediol And Dodecanedioic Acid
• Molecular Formula: C₃₂H₄₄O₁₄
• Molecular Weight: 652.69
• CAS Registry Number: 60450-78-4
• SMILES: C1=C(C=CC=C1C(=O)O)C(=O)O.C2=C(C=CC(=C2)C(=O)O)C(=O)O.C(C(=O)O)CCCCCCCCCC(=O)O.C(CCO)CO
• InChI: 1S/C12H22O4.2C8H6O4.C4H10O2/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16;9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;5-3-1-2-4-6/h1-10H2,(H,13,14)(H,15,16);2*1-4H,(H,9,10)(H,11,12);5-6H,1-4H2
• InChIKey: NDXUFLOJWQJTNA-UHFFFAOYSA-N

Properties

• Boiling point: 394°C at 760 mmHg (Cal.)
• Flash point: 216.6°C (Cal.)