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Molecule record

2-nitroethylbenzene

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
80208

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-(2-nitroethyl)benzene
  • 1-(PHENYL) 2-NITROETHANE
  • 1-Nitro-2-phenylethane
  • 2-Phenyl-1-nitro-ethane
  • 2-nitro-ethyl-benzene
  • 2-phenylnitroethane
  • 228-094-0
  • 3-nitroethylbenzene
Show all 24 synonyms
  • 6125-24-2
  • AKOS006240249
  • Benzene, (2-nitroethyl)-
  • CHEMBL4572176
  • CS-W021067
  • DTXCID30132646
  • DTXSID30210155
  • EINECS 228-094-0
  • GLXC-03171
  • MFCD00210449
  • NSC 23854
  • NSC23854
  • RefChem:396168
  • SCHEMBL264237
  • SCHEMBL564297
  • SCHEMBL734111

Structure identifiers

Canonical SMILES
O=[N+]([O-])CCc1ccccc1
Isomeric SMILES
C1=CC=C(C=C1)CC[N+](=O)[O-]
InChI
InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
XAWCLWKTUKMCMO-UHFFFAOYSA-N
PubChem CID
80208

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 2-nitroethylbenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-nitroethylbenzene; 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