Nitrobenzene

CAS Registry Number®

98-95-3

CAS Name

Nitrobenzene

Molecular Formula

C6H5NO2

Molecular Mass

123.11

Cite this Page

Nitrobenzene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98-95-3 (retrieved 2024-11-24) (CAS RN: 98-95-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    210.8 °C

  • Melting Point (1)

    5.7 °C

  • Density (1)

    1.2037 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

InChIKey

InChIKey=LQNUZADURLCDLV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=N(=O)C=1C=CC=CC1

Other Names for this Substance

  • Benzene, nitro-
  • Nitrobenzene
  • Essence of Mirbane
  • Essence of Myrbane
  • Mirbane oil

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