chempirical

Pentachloronitrobenzene

C6Cl5NO2CAS 82-68-8295.32 g/mol

Open in Covalent MOL file
ON+O−ClClClClCl
Aryl halideNitro

Properties

Molecular formula
C6Cl5NO2
Molar mass
295.32 g/mol
Exact mass
292.8372 Da
Density
1.718 g/mL (at 25 °C)
Melting point
144 °C
Boiling point
328 °C
logP
4.86Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
82-68-8
SMILES
O=[N+]([O-])c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIKey
LKPLKUMXSAEKID-UHFFFAOYSA-N
InChI
InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

38 names · show all
  • Benzene, 1,2,3,4,5-pentachloro-6-nitro-
  • Benzene, pentachloronitro-
  • 1,2,3,4,5-Pentachloro-6-nitrobenzene
  • Brassicol super
  • Folosan
  • PCNB
  • Quintozene
  • Terrachlor
  • Tilcarex
  • Brassicol
  • Fomac 2
  • Kobutol
  • Terraclor
  • Terrafun
  • Avicol (pesticide)
  • Batrilex
  • Fartox
  • GC 3944-3-4
  • Brassicol 75
  • Terraclor 30G
  • Quintozen
  • Phomasan
  • Pentagen
  • Botrilex
  • Tritisan
  • Marisan forte
  • Quinosan
  • Chinozan
  • Nitropentachlorobenzene
  • RTU 1010
  • 2,3,4,5,6-Pentachloronitrobenzene
  • Terrazan F
  • Terrazan
  • Plantacol
  • NSC 58427
  • Korsikol
  • RTU PCNB
  • 1,2,3,4,5-Pentachloronitrobenzene

Work with Pentachloronitrobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,4,5-Tetrachloro-3-nitrobenzene117-18-064 % similar 1,3,5-Trichloro-2,4-dinitrobenzene6284-83-958 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-048 % similar 2,4-Dichloro-3,5-dinitrobenzotrifluoride29091-09-647 % similar 2,4,6-Trichloronitrobenzene18708-70-846 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-046 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-246 % similar Picryl chloride88-88-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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