ChemArche
Sign inAccount

Molecule record

1-methyl-2-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
6944

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-2-nitro-benzene
  • 1321-12-6
  • 2-Methyl-1-nitrobenzene
  • 2-Methylnitrobenzene
  • 2-Nitrotoluene
  • 2-Nitrotoluol
  • 201-853-3
  • 6Q9N88YIAY
Show all 24 synonyms
  • 88-72-2
  • Benzene, 1-methyl-2-nitro-
  • CHEBI:33098
  • DTXCID005791
  • DTXSID4025791
  • NITROTOLUENE
  • NSC 9577
  • O-NITROTOLUENE
  • RefChem:910149
  • Toluene, o-nitro-
  • UN-1664
  • o-Methylnitrobenzene
  • o-Nitrotoluol
  • o-mononitrotoluene
  • ortho-Nitrotoluol
  • ortho-nitrotoluene

Structure identifiers

Canonical SMILES
Cc1ccccc1[N+](=O)[O-]
Isomeric SMILES
CC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
InChIKey
PLAZTCDQAHEYBI-UHFFFAOYSA-N
PubChem CID
6944

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-2-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-methyl-2-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
1-methyl-2-nitrobenzene - Formula, Structure | ChemArche