chempirical

Disodium 4-formyl-1,3-benzenedisulfonate

C7H4Na2O7S2CAS 33513-44-9310.20 g/mol

Open in Covalent MOL file
O−SOOOSO−OONa+Na+
AldehydeSulfonic acid

Properties

Molecular formula
C7H4Na2O7S2
Molar mass
310.20 g/mol
Exact mass
309.9194 Da
logP
-0.77Crippen estimate
Polar surface area
125.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

Hazards

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

Identifiers

CAS number
33513-44-9
SMILES
[O-]S(=O)(=O)c1ccc(C=O)c(S([O-])(=O)=O)c1.[Na+].[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.

Weigh it out

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Names and synonyms

9 names
  • 1,3-Benzenedisulfonic acid, 4-formyl-, sodium salt (1:2)
  • 1,3-Benzenedisulfonic acid, 4-formyl-, disodium salt
  • m-Benzenedisulfonic acid, 4-formyl-, disodium salt
  • Disodium 2,4-disulfobenzaldehyde
  • Sodium 4-formylbenzene-1,3-disulfonate
  • Disodium benzaldehyde-2,4-disulfonate
  • Benzaldehyde-2,4-disulfonic acid disodium salt
  • 4-Formylbenzene-1,3-disulfonic acid disodium salt
  • Disodium 4-formylbenzene-1,3-disulfonate

Work with Disodium 4-formyl-1,3-benzenedisulfonate

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.

4-Formyl-1,3-benzenedisulfonic acid88-39-1Free acid

Similar compounds

Sodium 2-formylbenzenesulfonate1008-72-663 % similar Sodium 1,3,6-naphthalenetrisulfonate5182-30-955 % similar Disodium 2,6-naphthalenedisulfonate1655-45-453 % similar Disodium 2,7-naphthalenedisulfonate1655-35-251 % similar Sodium xylenesulfonate1300-72-751 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-350 % similar Disodium m-benzenedisulfonate831-59-450 % similar Disodium 1,6-naphthalenedisulfonate1655-43-249 % similar

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

Elsewhere

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