Sodium p-toluenesulfonate

C₇H₇NaO₃SCAS 657-84-1194.18 g/mol

Open in Covalent MOL file

Sulfonic acid

Properties

Molecular formula: C₇H₇NaO₃S
Molar mass: 194.18 g/mol
Exact mass: 194.0014 Da
logP: 0.86Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed44.9% of notifiers
H312 Harmful in contact with skin44.9% of notifiers
H317 May cause an allergic skin reaction44.9% of notifiers
H319 Causes serious eye irritation96.7% of notifiers
H332 Harmful if inhaled44.9% of notifiers
H341 Suspected of causing genetic defects44.9% of notifiers
H351 Suspected of causing cancer44.9% of notifiers
H400 Very toxic to aquatic life44.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects44.9% of notifiers

Aggregated from 523 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P330, P333+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

657-84-1

SMILES

Cc1ccc(S([O-])(=O)=O)cc1.[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

21 names · show all

Benzenesulfonic acid, 4-methyl-, sodium salt (1:1)
p-Toluenesulfonic acid, sodium salt
Benzenesulfonic acid, 4-methyl-, sodium salt
Sodium tosylate
Sodium p-tolyl sulfonate
Sodium 4-toluenesulfonate
Sodium p-methylbenzenesulfonate
4-Toluenesulfonic acid sodium salt
Sodium 4-methylbenzenesulfonate
Eltesol ST 90
Sodium toluenesulfonate
Pilot STS 32
Toluenesulfonic acid sodium salt
Cyclophil STS 70
Eltesol ST 34
4-Methylbenzenesulfonic acid sodium salt
Naxonate ST
Taycatox N 3000
Sodium p-toluensulfonate
Chemguard NATS
Sodium methylbenzenesulfonate

Work with Sodium 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 Pyridinium p-toluenesulfonate24057-28-1Salt Collidinium P-toluenesulfonate59229-09-3Salt Ferric p-toluenesulfonate77214-82-5Salt 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 benzenesulfonate515-42-459 % similar Sodium p-aminobenzenesulfonate515-74-259 % similar Sodium 4-hydroxybenzenesulfonate825-90-159 % similar Sodium xylenesulfonate1300-72-758 % similar Disodium 2,6-naphthalenedisulfonate1655-45-455 % similar Sodium 2,4-dimethylbenzenesulfonate827-21-455 % similar Disodium 2,7-naphthalenedisulfonate1655-35-253 % similar Sodium P-phenolsulfonate dihydrate10580-19-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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