DNOC-sodium

C7H5N2NaO5CAS 2312-76-7220.12 g/mol

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N+O−ON+O−OO−Na+
NitroPhenol

Properties

Molecular formula
C7H5N2NaO5
Molar mass
220.12 g/mol
Exact mass
220.0096 Da
logP
1.14Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2312-76-7
SMILES
Cc1cc([N+]([O-])=O)cc([N+]([O-])=O)c1[O-].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

18 names · show all
  • Phenol, 2-methyl-4,6-dinitro-, sodium salt (1:1)
  • o-Cresol, 4,6-dinitro-, sodium salt
  • Phenol, 2-methyl-4,6-dinitro-, sodium salt
  • Sodium, [(4,6-dinitro-o-tolyl)oxy]-
  • o-Cresol, 4,6-dinitro-, sodium deriv.
  • Corodinoc
  • 4,6-Dinitro-o-cresol sodium salt
  • Dynosol
  • Dinitro-o-cresol sodium salt
  • Krezotol DNOC
  • DNOC sodium salt
  • Krezotol
  • Cresotol
  • Sodium 4,6-dinitro-o-cresolate
  • EK 54
  • Extar A
  • Gilboform
  • Sodium 6-methyl-2,4-dinitrophenolate

Work with DNOC-sodium

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methyl-4,6-dinitrophenol534-52-1Free acid DNOC-ammonium2980-64-5Salt

Similar compounds

Sodium picramate831-52-765 % similar TNT118-96-756 % similar 2,4-Dinitrotoluene121-14-256 % similar 2,6-Dimethyl-4-nitrophenol2423-71-453 % similar Sodium 2,4-dinitrophenolate1011-73-053 % similar 4-Nitro-o-xylene99-51-450 % similar 2,4,6-Trinitrobenzenesulfonic acid2508-19-249 % similar 1,3,6,8-Tetranitronaphthalene28995-89-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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