Sodium 3,5-dichloro-2-hydroxybenzenesulfonate

C6H3Cl2NaO4SCAS 54970-72-8265.04 g/mol

Open in Covalent MOL file
O−SOOClClHONa+
Aryl halidePhenolSulfonic acid

Properties

Molecular formula
C6H3Cl2NaO4S
Molar mass
265.04 g/mol
Exact mass
263.9027 Da
logP
1.56Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

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
54970-72-8
SMILES
[O-]S(=O)(=O)c1cc(Cl)cc(Cl)c1O.[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

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzenesulfonic acid, 3,5-dichloro-2-hydroxy-, sodium salt (1:1)
  • Benzenesulfonic acid, 3,5-dichloro-2-hydroxy-, monosodium salt
  • 1-Phenol-2-sulfonic acid, 4,6-dichloro-, sodium salt
  • Sodium 2-hydroxy-3,5-dichlorobenzenesulfonate

Work with Sodium 3,5-dichloro-2-hydroxybenzenesulfonate

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

Tiron (chemical)149-45-150 % similar 2,4,6-Trichlorophenol88-06-250 % similar Acid blue 452861-02-144 % similar Potassium 2,4,5-trichlorobenzenesulfonate62625-17-644 % similar 2,7-Dihydroxy-3,6-naphthalenesulfonate disodium salt7153-21-144 % similar Sodium 2-amino-4-chloro-5-methylbenzenesulfonate6627-59-443 % similar 2,4-Dichloro-6-nitrophenol609-89-243 % similar 3,5-Dichlorosalicylaldehyde90-60-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook