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Hexamethylene diisocyanate

CAS Registry Number®

822-06-0

CAS Name

Hexamethylene diisocyanate

Molecular Formula

C8H12N2O2

Molecular Mass

168.19

Cite this Page

Hexamethylene diisocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=822-06-0 (retrieved 2024-11-21) (CAS RN: 822-06-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    255 °C

  • Melting Point (2)

    -67 °C

  • Density (2)

    1.04 g/cm³ @ Temp: 25 °C

Source(s)

  • (1) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)
  • (2) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2

InChIKey

InChIKey=RRAMGCGOFNQTLD-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NCCCCCCN=C=O

Other Names for this Substance

  • Hexane, 1,6-diisocyanato-
  • Isocyanic acid, hexamethylene ester
  • 1,6-Diisocyanatohexane
  • Hexamethylene diisocyanate
  • 1,6-Hexamethylene diisocyanate

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Deleted or Replaced CAS Registry Numbers

53192-27-1, 57350-77-3, 63525-90-6, 66368-96-5, 88357-62-4, 133394-59-9, 141504-21-4, 243121-01-9, 280144-19-6, 824958-44-3, 1196968-38-3, 1199811-16-9, 1447694-90-7, 1674389-30-0, 1714093-54-5, 1799418-17-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration