1,3-Bis(1-isocyanato-1-methylethyl)benzene

CAS Registry Number®

2778-42-9

CAS Name

1,3-Bis(1-isocyanato-1-methylethyl)benzene

Molecular Formula

C14H16N2O2

Molecular Mass

244.29

Cite this Page

1,3-Bis(1-isocyanato-1-methylethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2778-42-9 (retrieved 2024-11-22) (CAS RN: 2778-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    106 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C14H16N2O2/c1-13(2,15-9-17)11-6-5-7-12(8-11)14(3,4)16-10-18/h5-8H,1-4H3

InChIKey

InChIKey=AZYRZNIYJDKRHO-UHFFFAOYSA-N

SMILES

C(N=C=O)(C)(C)C1=CC(C(N=C=O)(C)C)=CC=C1

Canonical SMILES

O=C=NC(C1=CC=CC(=C1)C(N=C=O)(C)C)(C)C

Other Names for this Substance

  • Benzene, 1,3-bis(1-isocyanato-1-methylethyl)-
  • Isocyanic acid, α,α,α′,α′-tetramethyl-m-xylylene ester
  • Isocyanic acid, m-phenylenediisopropylidene ester
  • 1,3-Bis(1-isocyanato-1-methylethyl)benzene
  • α,α,α′,α′-Tetramethyl-m-phenylenedimethylene diisocyanate

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Deleted or Replaced CAS Registry Numbers

85902-02-9, 116723-39-8, 945843-99-2, 1809802-53-6, 1998085-41-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration