4-Nitrotoluene

CAS Registry Number®

99-99-0

CAS Name

4-Nitrotoluene

Molecular Formula

C7H7NO2

Molecular Mass

137.14

Cite this Page

4-Nitrotoluene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=99-99-0 (retrieved 2024-11-24) (CAS RN: 99-99-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    238 °C

  • Melting Point (1)

    53-54 °C

  • Density (2)

    1.29 g/cm³

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)

Other Names and Identifiers

InChI

InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3

InChIKey

InChIKey=ZPTVNYMJQHSSEA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, 1-methyl-4-nitro-
  • Toluene, p-nitro-
  • 1-Methyl-4-nitrobenzene
  • p-Methylnitrobenzene
  • p-Nitrotoluene

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