chempirical

Chloramine-T trihydrate

C7H13ClNNaO5SCAS 7080-50-4281.68 g/mol

Open in Covalent MOL file
SOON−ClH2OH2OH2ONa+
Sulfonamide

Properties

Molecular formula
C7H13ClNNaO5S
Molar mass
281.68 g/mol
Exact mass
281.0101 Da
logP
-1.43Crippen estimate
Polar surface area
140.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
7080-50-4
SMILES
Cc1ccc(S(=O)(=O)[N-]Cl)cc1.O.O.O.[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

5 names
  • Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, hydrate (1:1:3)
  • Sodium, (N-chloro-p-toluenesulfonamido)-, trihydrate
  • Benzenesulfonamide, N-chloro-4-methyl-, sodium salt, trihydrate
  • Tosylchloramide sodium trihydrate
  • N-Chloro-p-toluenesulfonamide sodium salt trihydrate

Work with Chloramine-T trihydrate

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.

Chloramine-T127-65-1Anhydrous

Similar compounds

Chloramine B127-52-659 % similar Sodium 4-methylbenzenesulfonate12068-03-047 % similar Sodium p-toluenesulfonate657-84-147 % similar Zinc P-toluenesulfonate hydrate123334-05-446 % similar p-Toluenesulfonic acid monohydrate6192-52-546 % similar 4-Toluenesulfonyl chloride98-59-942 % similar Sulfacetamide sodium6209-17-241 % similar P-Toluenesulfinic acid sodium salt tetrahydrate868858-48-439 % similar

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

Elsewhere

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