1,3-Benzenedicarboxylic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene, hexanedioic acid and 1,6-hexanediol
[CAS# 68698-81-7]

Identification

• Name: 1,3-Benzenedicarboxylic acid, polymer with 1,4-butanediol, 1,3-diisocyanatomethylbenzene, hexanedioic acid and 1,6-hexanediol
• Synonyms: Adipic Acid; Butane-1,4-Diol; 1,3-Diisocyanato-2-Methyl-Benzene; Hexane-1,6-Diol; Isophthalic Acid; Adipic Acid
• Molecular Formula: C₃₃H₄₆N₂O₁₄
• Molecular Weight: 694.73
• CAS Registry Number: 68698-81-7
• SMILES: N(C1=C(C(=CC=C1)N=C=O)C)=C=O.C(CCCCCO)O.C(C(=O)O)CCCC(=O)O.O=C(C2=CC=CC(=C2)C(=O)O)O.C(CCCO)O
• InChI: 1S/C9H6N2O2.C8H6O4.C6H10O4.C6H14O2.C4H10O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;7-5-3-1-2-4-6-8;5-3-1-2-4-6/h2-4H,1H3;1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);7-8H,1-6H2;5-6H,1-4H2
• InChIKey: MQIWVEWCGXQSTL-UHFFFAOYSA-N

Properties

• Boiling point: 248.4°C at 760 mmHg (Cal.)
• Flash point: 110.5°C (Cal.)