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CAS 195456-49-6

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1,6-Diisocyanato-5,6-dimethylheptane

Description:
1,6-Diisocyanato-5,6-dimethylheptane is an organic compound characterized by the presence of two isocyanate functional groups (-N=C=O) attached to a heptane backbone that is further substituted with two methyl groups at the 5 and 6 positions. This structure contributes to its reactivity, particularly in forming polyurethanes through reactions with polyols. The compound is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. It is known for its high reactivity, which makes it useful in various applications, including the production of coatings, adhesives, and elastomers. However, due to the presence of isocyanate groups, it poses health risks, including respiratory irritation and sensitization, necessitating careful handling and appropriate safety measures. Additionally, it is important to note that isocyanates can undergo hydrolysis in the presence of moisture, leading to the formation of corresponding amines and carbon dioxide. Overall, 1,6-Diisocyanato-5,6-dimethylheptane is a significant compound in the field of polymer chemistry.
Formula:C11H18N2O2
InChI:InChI=1S/C11H18N2O2/c1-10(11(2,3)13-9-15)6-4-5-7-12-8-14/h10H,4-7H2,1-3H3
InChI key:InChIKey=VZXPHDGHQXLXJC-UHFFFAOYSA-N
SMILES:C(C(N=C=O)(C)C)(CCCCN=C=O)C
Synonyms:
  • 1,1,2-Trimethylhexamethylenediisocyanate
  • Heptane, 1,6-diisocyanato-5,6-dimethyl-
  • 1,6-Diisocyanato-5,6-dimethylheptane
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