Butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;hexanedioic acid

Base Information

• Chemical Name: Butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;hexanedioic acid
• CAS No.: 96446-47-8
• Molecular Formula: C28H32N4O10
• Molecular Weight: 584.57448
• Mol file: 96446-47-8.mol

Synonyms:(C9-H6-N2-O2.C9-H6-N2-O2.C6-H10-O4.C4-H10-O2)x-;96446-47-8

Chemical Property of Butane-1,4-diol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene;hexanedioic acid

Chemical Property:

• Boiling Point: 251°Cat760mmHg
• Flash Point: 110.5°C
• PSA: 232.78000
• Density: g/cm³
• LogP: 4.32640
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 12
• Exact Mass: 584.21184323
• Heavy Atom Count: 42
• Complexity: 635

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CCO)CO

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