1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

CAS Registry Number®

2094-99-7

CAS Name

1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene

Molecular Formula

C13H15NO

Molecular Mass

201.26

Cite this Page

1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2094-99-7 (retrieved 2024-11-23) (CAS RN: 2094-99-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    269.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C13H15NO/c1-10(2)11-6-5-7-12(8-11)13(3,4)14-9-15/h5-8H,1H2,2-4H3

InChIKey

InChIKey=ZVEMLYIXBCTVOF-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC(C=1C=CC=C(C1)C(=C)C)(C)C

Other Names for this Substance

  • Benzene, 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)-
  • Isocyanic acid, m-isopropenyl-α,α-dimethylbenzyl ester
  • 1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
  • 3-Isopropenyl-α,α-dimethylbenzyl isocyanate
  • m-TMI

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Deleted or Replaced CAS Registry Numbers

138273-17-3, 153929-64-7, 163620-50-6

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