Hexamethylene diisocyanate isocyanurate trimer

CAS Registry Number®

3779-63-3
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CAS Name

Hexamethylene diisocyanate isocyanurate trimer

Molecular Formula

C24H36N6O6

Molecular Mass

504.58

Cite this Page

Hexamethylene diisocyanate isocyanurate trimer.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3779-63-3 (retrieved 2024-06-26) (CAS RN: 3779-63-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

  • Density (2)

    1.16 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2

InChIKey

InChIKey=KCZQSKKNAGZQSZ-UHFFFAOYSA-N

SMILES

C(CCCCCN=C=O)N1C(=O)N(CCCCCCN=C=O)C(=O)N(CCCCCCN=C=O)C1=O

Canonical SMILES

O=C=NCCCCCCN1C(=O)N(C(=O)N(C1=O)CCCCCCN=C=O)CCCCCCN=C=O

Other Names for this Substance

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-
  • Isocyanic acid, (2,4,6-trioxo-s-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) ester
  • Isocyanic acid, (trioxo-s-triazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) ester
  • 1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
  • Tris(6-isocyanatohexyl)isocyanurate

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Deleted or Replaced CAS Registry Numbers

111566-06-4, 112901-98-1, 122782-48-3, 127545-84-0, 134016-53-8, 140687-52-1, 192140-88-8, 808167-79-5, 1447694-95-2, 1629856-25-2

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