3-Nitrophenyl isocyanate

CAS Registry Number®

3320-87-4
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CAS Name

3-Nitrophenyl isocyanate

Molecular Formula

C7H4N2O3

Molecular Mass

164.12

Cite this Page

3-Nitrophenyl isocyanate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3320-87-4 (retrieved 2024-03-28) (CAS RN: 3320-87-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    130-131 °C @ Press: 11 Torr
  • Melting Point (2)

    51 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H4N2O3/c10-5-8-6-2-1-3-7(4-6)9(11)12/h1-4H

InChIKey

InChIKey=GFFGYTMCNVMFAJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C=NC1=CC=CC(=C1)N(=O)=O

Other Names for this Substance

  • Benzene, 1-isocyanato-3-nitro-
  • Isocyanic acid, m-nitrophenyl ester
  • 1-Isocyanato-3-nitrobenzene
  • m-Nitrophenyl isocyanate
  • 3-Nitrophenyl isocyanate

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