4-Isocyanato-1-methyl-2-nitrobenzene

CAS Registry Number®

13471-69-7

CAS Name

4-Isocyanato-1-methyl-2-nitrobenzene

Molecular Formula

C8H6N2O3

Molecular Mass

178.14

Cite this Page

4-Isocyanato-1-methyl-2-nitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13471-69-7 (retrieved 2024-11-24) (CAS RN: 13471-69-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    100-102 °C @ Press: 0.2 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O3/c1-6-2-3-7(9-5-11)4-8(6)10(12)13/h2-4H,1H3

InChIKey

InChIKey=OIORBBLUSMONPW-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC(N=C=O)=CC=C1C

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 4-isocyanato-1-methyl-2-nitro-
  • Isocyanic acid, 3-nitro-p-tolyl ester
  • 4-Isocyanato-1-methyl-2-nitrobenzene
  • 4-Isocyanato-2-nitrotoluene
  • 3-Nitro-4-methylphenyl isocyanate

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