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Molecule record

1-ethyl-3-nitrobenzene

C8H9NO2

151.16 g/mol

Loading structure

Molecular properties

Formula
C8H9NO2
Molar mass
151.16 g·mol−1
Exact mass
151.0633 Da
5
PubChem CID
81836

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-NITRO-3-ETHYLBENZENE
  • 1-ethyl-3-nitro-benzene
  • 230-923-6
  • 3-ethylnitrobenzene
  • 437X9WL9JT
  • 7369-50-8
  • Benzene, 1-ethyl-3-nitro-
  • Benzene,1-ethyl-3-nitro-
Show all 24 synonyms
  • DTXCID80146470
  • DTXSID00223979
  • EINECS 230-923-6
  • MFCD00130058
  • Nitrobenzene, 3-ethyl-
  • RXAKLPGK
  • RXAKLPGKSXJZEF-UHFFFAOYSA-N
  • RefChem:75747
  • SCHEMBL132215
  • SCHEMBL132216
  • SCHEMBL453450
  • SCHEMBL457530
  • SCHEMBL458041
  • SCHEMBL458483
  • SCHEMBL458793
  • UNII-437X9WL9JT

Structure identifiers

Canonical SMILES
CCc1cccc([N+](=O)[O-])c1
Isomeric SMILES
CCC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H9NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6H,2H2,1H3
InChIKey
RXAKLPGKSXJZEF-UHFFFAOYSA-N
PubChem CID
81836

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-ethyl-3-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-ethyl-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