Pentamethylene diisocyanate

CAS Registry Number®

4538-42-5

CAS Name

Pentamethylene diisocyanate

Molecular Formula

C7H10N2O2

Molecular Mass

154.17

Cite this Page

Pentamethylene diisocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4538-42-5 (retrieved 2024-10-04) (CAS RN: 4538-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    116 °C @ Press: 11 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H10N2O2/c10-6-8-4-2-1-3-5-9-7-11/h1-5H2

InChIKey

InChIKey=DFPJRUKWEPYFJT-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NCCCCCN=C=O

Other Names for this Substance

  • Pentane, 1,5-diisocyanato-
  • Isocyanic acid, pentamethylene ester
  • 1,5-Diisocyanatopentane
  • Pentamethylene diisocyanate
  • 1,5-Pentanediol diisocyanate

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