1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene

CAS Registry Number®

16588-70-8
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CAS Name

1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene

Molecular Formula

C8H3F3N2O3

Molecular Mass

232.12

Cite this Page

1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=16588-70-8 (retrieved 2024-05-04) (CAS RN: 16588-70-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    104-105 °C @ Press: 5 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H3F3N2O3/c9-8(10,11)5-1-2-6(12-4-14)7(3-5)13(15)16/h1-3H

InChIKey

InChIKey=RTGZAHNHYOUVQA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=C(C=C1N(=O)=O)C(F)(F)F

Other Names for this Substance

  • Benzene, 1-isocyanato-2-nitro-4-(trifluoromethyl)-
  • Isocyanic acid, α,α,α-trifluoro-2-nitro-p-tolyl ester
  • 1-Isocyanato-2-nitro-4-(trifluoromethyl)benzene
  • 2-Nitro-4-(trifluoromethyl)phenyl isocyanate

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