2,2,4-Trimethylhexamethylene diisocyanate

CAS Registry Number®

16938-22-0
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CAS Name

2,2,4-Trimethylhexamethylene diisocyanate

Molecular Formula

C11H18N2O2

Molecular Mass

210.27

Cite this Page

2,2,4-Trimethylhexamethylene diisocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16938-22-0 (retrieved 2024-07-06) (CAS RN: 16938-22-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H18N2O2/c1-10(4-5-12-8-14)6-11(2,3)7-13-9-15/h10H,4-7H2,1-3H3

InChIKey

InChIKey=ATOUXIOKEJWULN-UHFFFAOYSA-N

SMILES

C(C(CN=C=O)(C)C)C(CCN=C=O)C

Canonical SMILES

O=C=NCCC(C)CC(C)(C)CN=C=O

Other Names for this Substance

  • Hexane, 1,6-diisocyanato-2,2,4-trimethyl-
  • Isocyanic acid, 2,2,4-trimethylhexamethylene ester
  • 1,6-Diisocyanato-2,2,4-trimethylhexane
  • 2,2,4-Trimethylhexamethylene diisocyanate
  • 2,2,4-Trimethyl-1,6-diisocyanatohexane

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Deleted or Replaced CAS Registry Numbers

132878-86-5, 83259-64-7