Chromotropic acid disodium salt dihydrate

C10H10Na2O10S2CAS 5808-22-0400.28 g/mol

Open in Covalent MOL file
O−SOOOHOHSO−OOH2OH2ONa+Na+
PhenolSulfonic acid

Properties

Molecular formula
C10H10Na2O10S2
Molar mass
400.28 g/mol
Exact mass
399.9511 Da
logP
-1.67Crippen estimate
Polar surface area
212.2 Ų
H-bond donors / acceptors
4 / 6
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
5808-22-0
SMILES
[O-]S(=O)(=O)c1cc(O)c2c(O)cc(S([O-])(=O)=O)cc2c1.O.O.[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.

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Names and synonyms

2 names
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-, sodium salt, hydrate (1:2:2)
  • 2,7-Naphthalenedisulfonic acid, 4,5-dihydroxy-, disodium salt, dihydrate

Work with Chromotropic acid disodium salt dihydrate

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.

Chromotropic acid148-25-4Free acid

Similar compounds

4-Hydroxy-2,7-naphthalenedisulfonic acid disodium salt20349-39-761 % similar 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid monosodium salt5460-09-360 % similar 2-Naphthalenesulfonic acid, 4,6-dihydroxy-, sodium salt (1:1)83732-66-556 % similar Sodium 2,3-dihydroxynaphthalene-6-sulfonate135-53-555 % similar Tiron (chemical)149-45-155 % similar Azomethine-H sodium206752-32-154 % similar Sodium P-phenolsulfonate dihydrate10580-19-551 % similar 2-Naphthol-3,6-disulfonic acid disodium salt135-51-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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