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Molecule record

1-methyl-3-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
7422

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-3-nitro-benzene
  • 202-728-6
  • 29A9W826KQ
  • 3-Methyl-1-nitrobenzene
  • 3-Methylnitrobenzene
  • 3-Nitrotoluene
  • 3-Nitrotoluol
  • 3-mononitrotoluene
Show all 24 synonyms
  • 99-08-1
  • Benzene, 1-methyl-3-nitro-
  • CHEBI:39931
  • DTXCID001831
  • DTXSID5021831
  • M-MONONITROTOLUENE
  • META-NITROTOLUENE
  • MFCD00007265
  • NSC 9578
  • Nitrotoluene, m-
  • RefChem:95064
  • Toluene, m-nitro-
  • m-Methylnitrobenzene
  • m-Nitrotoluene
  • m-Nitrotoluol
  • meta-Nitrotoluol

Structure identifiers

Canonical SMILES
Cc1cccc([N+](=O)[O-])c1
Isomeric SMILES
CC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
InChIKey
QZYHIOPPLUPUJF-UHFFFAOYSA-N
PubChem CID
7422

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-3-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methyl-3-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