chempirical

2,6-Dinitroaniline

C6H5N3O4CAS 606-22-4183.12 g/mol

Open in Covalent MOL file
NH2N+OO−N+OO−
NitroPrimary amine

Properties

Molecular formula
C6H5N3O4
Molar mass
183.12 g/mol
Exact mass
183.0280 Da
Melting point
141.5 °C
logP
1.09Crippen estimate
Polar surface area
112.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
606-22-4
SMILES
Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]
InChIKey
QFUSCYRJMXLNRB-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O4/c7-6-4(8(10)11)2-1-3-5(6)9(12)13/h1-3H,7H2

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Names and synonyms

7 names
  • Benzenamine, 2,6-dinitro-
  • Aniline, 2,6-dinitro-
  • 2,6-Dinitrobenzenamine
  • 2-Amino-1,3-dinitrobenzene
  • 1-Amino-2,6-dinitrobenzene
  • NSC 93399
  • 2,6-Dinitro-phenylamine

Reactions

Work with 2,6-Dinitroaniline

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

3-Nitro-1,2-phenylenediamine3694-52-878 % similar 2-Bromo-6-nitrobenzenamine59255-95-775 % similar 2-Chloro-6-nitrobenzenamine769-11-975 % similar 2-Fluoro-6-nitrobenzenamine17809-36-872 % similar 2-Methyl-6-nitroaniline570-24-172 % similar 2-Amino-3-nitrophenol603-85-072 % similar 2-Methoxy-6-nitrobenzenamine16554-45-366 % similar 2,6-Dinitrophenol573-56-863 % similar

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

Same formula

3,4-Dinitroaniline610-41-3 3,5-Dinitroaniline618-87-1 2,4-Dinitroaniline97-02-9

Elsewhere

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