Phenylnitromethane

CAS Registry Number®

622-42-4

CAS Name

Phenylnitromethane

Molecular Formula

C7H7NO2

Molecular Mass

137.14

Cite this Page

Phenylnitromethane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=622-42-4 (retrieved 2025-04-03) (CAS RN: 622-42-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    50-60 °C @ Press: 15 Torr

  • Melting Point (2)

    231-233 °C (decomp)

  • Density (3)

    1.1587 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

InChIKey=VLZLOWPYUQHHCG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzene, (nitromethyl)-
  • Toluene, α-nitro-
  • (Nitromethyl)benzene
  • Phenylnitromethane
  • Nitrophenylmethane

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