chempirical

2,5-Dinitrophenol

C6H4N2O5CAS 329-71-5184.11 g/mol

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

Properties

Molecular formula
C6H4N2O5
Molar mass
184.11 g/mol
Exact mass
184.0120 Da
Melting point
108 °C
logP
1.21Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
329-71-5
SMILES
O=[N+]([O-])c1ccc([N+](=O)[O-])c(O)c1
InChIKey
UWEZBKLLMKVIPI-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H

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Names and synonyms

4 names
  • Phenol, 2,5-dinitro-
  • 2,5-DNP
  • Phenol, γ-dinitro-
  • NSC 90441

Work with 2,5-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

4-Nitrocatechol3316-09-472 % similar 2-Amino-5-nitrophenol121-88-066 % similar 5-Fluoro-2-nitrophenol446-36-664 % similar 2-Methyl-5-nitrophenol5428-54-664 % similar 2-Chloro-5-nitrophenol619-10-364 % similar 5-Methyl-2-nitrophenol700-38-964 % similar 4,6-Dinitroresorcinol616-74-062 % similar 2-Hydroxy-4-nitrobenzaldehyde2460-58-462 % similar

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

Same formula

2,4-Dinitrophenol51-28-5 2,6-Dinitrophenol573-56-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook