chempirical

Picryl chloride

C6H2ClN3O6CAS 88-88-0247.55 g/mol

Open in Covalent MOL file
ON+O−N+OO−ClN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H2ClN3O6
Molar mass
247.55 g/mol
Exact mass
246.9632 Da
Density
1.797 g/mL (at 20 °C)
Melting point
83 °C
Boiling point
375 °C
logP
2.06Crippen estimate
Polar surface area
129.4 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
3

Identifiers

CAS number
88-88-0
SMILES
O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1
InChIKey
HJRJRUMKQCMYDL-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClN3O6/c7-6-4(9(13)14)1-3(8(11)12)2-5(6)10(15)16/h1-2H

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 2-chloro-1,3,5-trinitro-
  • 2-Chloro-1,3,5-trinitrobenzene
  • 2,4,6-Trinitro-1-chlorobenzene
  • 2,4,6-Trinitrochlorobenzene
  • 1-Chloro-2,4,6-trinitrobenzene
  • NSC 106297
  • NSC 1872

Work with Picryl chloride

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

2-Chloro-3,5-dinitrobenzotrifluoride392-95-067 % similar 2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-366 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-064 % similar 2-Chloro-1,3-dinitrobenzene606-21-363 % similar 2-Chloro-3,5-dinitrobenzoic acid2497-91-863 % similar 1,3,6,8-Tetranitronaphthalene28995-89-361 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-060 % similar 4-Chloro-3,5-dinitrobenzonitrile1930-72-959 % similar

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

Elsewhere

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