chempirical

2,4-Dinitroiodobenzene

C6H3IN2O4CAS 709-49-9294.00 g/mol

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

Properties

Molecular formula
C6H3IN2O4
Molar mass
294.00 g/mol
Exact mass
293.9138 Da
Melting point
88.7 °C
logP
2.11Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
709-49-9
SMILES
O=[N+]([O-])c1ccc(I)c([N+](=O)[O-])c1
InChIKey
FXMKXMJLXRTQSW-UHFFFAOYSA-N
InChI
InChI=1S/C6H3IN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

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Names and synonyms

8 names
  • Benzene, 1-iodo-2,4-dinitro-
  • 1-Iodo-2,4-dinitrobenzene
  • 1,3-Dinitro-4-iodobenzene
  • 2,4-Dinitrophenyl iodide
  • 4-Iodo-1,3-dinitrobenzene
  • NSC 10266
  • 2,4-Dinitro-1-iodobenzene
  • 6-Iodo-1,3-dinitrobenzene

Reactions

Work with 2,4-Dinitroiodobenzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Fluoro-1-iodo-2-nitrobenzene364-77-266 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-566 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-864 % similar 2-Chloro-1-iodo-4-nitrobenzene41252-96-464 % similar 2,4-Dinitrotoluene121-14-263 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-861 % similar 1-Iodo-2-nitrobenzene609-73-458 % similar 2,4-Dinitrophenol51-28-558 % similar

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

Elsewhere

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