chempirical

2,6-Dinitrophenol

C6H4N2O5CAS 573-56-8184.11 g/mol

Open in Covalent MOL file
ON+O−N+OO−HO
NitroPhenol

Properties

Molecular formula
C6H4N2O5
Molar mass
184.11 g/mol
Exact mass
184.0120 Da
Melting point
63–64 °C
logP
1.21Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
573-56-8
SMILES
O=[N+]([O-])c1cccc([N+](=O)[O-])c1O
InChIKey
JCRIDWXIBSEOEG-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H

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Names and synonyms

6 names
  • Phenol, 2,6-dinitro-
  • o-Dinitrophenol
  • Phenol, β-dinitro-
  • 2,6-DNP
  • β-Dinitrophenol
  • NSC 6215

Work with 2,6-Dinitrophenol

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

2-Bromo-6-nitrophenol13073-25-175 % similar 2-Chloro-6-nitrophenol603-86-175 % similar 2-Methyl-6-nitrophenol13073-29-572 % similar 2-Fluoro-6-nitrophenol1526-17-672 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-468 % similar 3-Nitrosalicylic acid85-38-164 % similar 1,2-Dinitrobenzene528-29-063 % similar 2′-Hydroxy-3′-nitroacetophenone28177-69-762 % similar

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

Same formula

2,5-Dinitrophenol329-71-5 2,4-Dinitrophenol51-28-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook