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Molecule record

1,2,3,4,5-pentachloro-6-nitrobenzene

C6Cl5NO2

295.34 g/mol

Loading structure

Molecular properties

Formula
C6Cl5NO2
Molar mass
295.34 g·mol−1
Exact mass
292.8372 Da
5
PubChem CID
6720

Functional groups

Aromatic ring
Aryl halide
Nitro compound

Physical properties

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

Common names and synonyms

  • 82-68-8
  • Avicol
  • Batrilex
  • Botrilex
  • Brassicol
  • Brassicol super
  • Chinozan
  • Fartox
Show all 24 synonyms
  • Fungiclor
  • Kobutol
  • Nitropentachlorobenzene
  • PCNB
  • PENTACHLORONITROBENZENE
  • Pentagen
  • Phomasan
  • Quinosan
  • Quintocene
  • Quintozen
  • Quintozene
  • Terrachlor
  • Terraclor
  • Terrafun
  • Tilcarex
  • Tritisan

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Isomeric SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
InChIKey
LKPLKUMXSAEKID-UHFFFAOYSA-N
PubChem CID
6720

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 1,2,3,4,5-pentachloro-6-nitrobenzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1,2,3,4,5-pentachloro-6-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