1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene
CAS Registry Number®
2094-99-7
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CAS Name
1-(1-Isocyanato-1-methylethyl)-3-(1-methylethenyl)benzeneMolecular Formula
C13H15NOMolecular Mass
201.26Cite 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/ChemicalDetail.aspx?ref=2094-99-7 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
138273-17-3, 153929-64-7, 163620-50-6
