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Molecule record

1-methyl-4-nitrobenzene

C7H7NO2

137.14 g/mol

Loading structure

Molecular properties

Formula
C7H7NO2
Molar mass
137.14 g·mol−1
Exact mass
137.0477 Da
5
PubChem CID
7473

Functional groups

Alkane / alkyl carbon
Aromatic ring
Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1-methyl-4-nitro-benzene
  • 202-808-0
  • 4-Methylnitrobenzene
  • 4-NITROTOLUENE
  • 4-Nitrotoluol
  • 99-99-0
  • Benzene, 1-methyl-4-nitro-
  • CHEBI:35227
Show all 24 synonyms
  • CHEMBL155320
  • DTXCID203792
  • DTXSID5023792
  • E88IMG14EX
  • NCI 9579
  • NCI-C60537
  • NSC-9579
  • Nitrotoluene, p-
  • Nitrotoluenos
  • RefChem:100171
  • Toluene, p-nitro-
  • p-Methylnitrobenzene
  • p-Nitrotoluene
  • p-nitrophenylmethane
  • para-Nitrotoluol
  • para-nitrotoluene

Structure identifiers

Canonical SMILES
Cc1ccc([N+](=O)[O-])cc1
Isomeric SMILES
CC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
InChIKey
ZPTVNYMJQHSSEA-UHFFFAOYSA-N
PubChem CID
7473

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-methyl-4-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methyl-4-nitrobenzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record