Ferric p-toluenesulfonate

C21H21FeO9S3CAS 77214-82-5569.42 g/mol

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SO−OOSO−OOSO−OOFe3+
Sulfonic acid

Properties

Molecular formula
C21H21FeO9S3
Molar mass
569.42 g/mol
Exact mass
568.9697 Da
logP
1.24Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

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
77214-82-5
SMILES
Cc1ccc(S([O-])(=O)=O)cc1.Cc1ccc(S([O-])(=O)=O)cc1.Cc1ccc(S([O-])(=O)=O)cc1.[Fe+3]
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

30 names · show all
  • Clevios C-B 40V2
  • Benzenesulfonic acid, 4-methyl-, iron(3+) salt (3:1)
  • Benzenesulfonic acid, 4-methyl-, iron(3+) salt
  • Iron(III) p-toluenesulfonate
  • p-Toluenesulfonic acid ferric salt
  • Ferric tosylate
  • Iron tris(4-toluenesulfonate)
  • Iron(3+) tosylate
  • Tris(toluenesulfonate)iron(III)
  • Iron(III) tris(toluenesulfonate)
  • Baytron C-B 40
  • Baytron C
  • Baytron C-E
  • Baytron C-B 50
  • Baytron C-B 40 high fe
  • Iron(III) tosylate
  • Fe(III) p-toluenesulfonate
  • Clevios C-B 40
  • Clevios C-W
  • Iron tris(p-toluenesulfonate)
  • FTS
  • Clevios C-E 60
  • Taycatron AF 60E
  • Taycatron AF 55B
  • Clevios C
  • Clevios C-E 40
  • OS-DO 55
  • C-B 40V2
  • Clevios C-B 54V3
  • Clevios CB 54

Work with Ferric p-toluenesulfonate

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.

p-Toluenesulfonic acid monohydrate6192-52-5Hydrate p-Toluenesulfonic acid104-15-4Free acid Sodium p-toluenesulfonate657-84-1Salt Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Trump IR134127-48-3Salt O-Benzylglycine toluene-p-sulphonate1738-76-7Salt L-Alanine benzyl ester tosylate42854-62-6Salt Valine benzyl ester 4-toluenesulfonate16652-76-9Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate2491-17-0Salt 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate4641-47-8Salt L-Aspartic acid dibenzyl ester tosylate2886-33-1Salt

Similar compounds

Sodium xylenesulfonate1300-72-752 % similar Potassium 4-bromobenzenesulfonate66788-58-750 % similar Disodium 2,6-naphthalenedisulfonate1655-45-448 % similar Disodium 2,7-naphthalenedisulfonate1655-35-247 % similar Sodium p-aminobenzenesulfonate515-74-247 % similar Sodium 4-hydroxybenzenesulfonate825-90-147 % similar Methyl p-tolyl sulfone3185-99-747 % similar Sodium benzenesulfonate515-42-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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