Sodium 2,4-dinitrobenzenesulfonate

C6H3N2NaO7SCAS 885-62-1270.15 g/mol

Open in Covalent MOL file
O−N+OSO−OON+O−ONa+
NitroSulfonic acid

Properties

Molecular formula
C6H3N2NaO7S
Molar mass
270.15 g/mol
Exact mass
269.9559 Da
logP
0.37Crippen estimate
Polar surface area
140.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
3

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
885-62-1
SMILES
[O-][N+](=O)c1ccc(S([O-])(=O)=O)c([N+]([O-])=O)c1.[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

3 names
  • Benzenesulfonic acid, 2,4-dinitro-, sodium salt (1:1)
  • Benzenesulfonic acid, 2,4-dinitro-, sodium salt
  • 2,4-Dinitrobenzenesulfonic acid sodium salt

Work with Sodium 2,4-dinitrobenzenesulfonate

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.

2,4-Dinitrobenzenesulfonic acid89-02-1Free acid

Similar compounds

Sodium 2-amino-5-nitrobenzenesulfonate30693-53-965 % similar 2-Chloro-5-nitrobenzenesulfonic acid sodium salt946-30-565 % similar 2,4-Dinitrobenzenesulfonyl chloride1656-44-662 % similar Sodium 2,4-dinitrophenolate1011-73-058 % similar Nitrol S127-68-457 % similar Sodium 4-chloro-3-nitrobenzenesulfonate17691-19-950 % similar Sodium 2-nitroaniline-4-sulfonate5042-33-150 % similar Nitrazine yellow5423-07-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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