Hexanedioic Acid, Polymer With 1,4-Butanediol, 1,3-Diisocyanato-2-Methylbenzene And 2,4-Diisocyanato-1-Methylbenzene
[CAS# 96446-47-8]

Identification

• Name: Hexanedioic Acid, Polymer With 1,4-Butanediol, 1,3-Diisocyanato-2-Methylbenzene And 2,4-Diisocyanato-1-Methylbenzene
• Synonyms: Adipic Acid; Butane-1,4-Diol; 1,3-Diisocyanato-2-Methyl-Benzene; 2,4-Diisocyanato-1-Methyl-Benzene; Adipic Acid; Butane-1,4-Diol
• Molecular Formula: C₂₈H₃₂N₄O₁₀
• Molecular Weight: 584.58
• CAS Registry Number: 96446-47-8
• SMILES: O=C=NC1=CC=C(C(=C1)N=C=O)C.O=C=NC2=C(C(=CC=C2)N=C=O)C.C(CCCO)O.C(C(=O)O)CCCC(=O)O
• InChI: 1S/2C9H6N2O2.C6H10O4.C4H10O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-7-8(10-5-12)3-2-4-9(7)11-6-13;7-5(8)3-1-2-4-6(9)10;5-3-1-2-4-6/h2*2-4H,1H3;1-4H2,(H,7,8)(H,9,10);5-6H,1-4H2
• InChIKey: XTCSGHCGSJHPHQ-UHFFFAOYSA-N

Properties

• Boiling point: 251°C at 760 mmHg (Cal.)
• Flash point: 110.5°C (Cal.)