p-Toluenesulfonic acid monohydrate

Base Information

• Chemical Name: p-Toluenesulfonic acid monohydrate
• CAS No.: 6192-52-5
• Molecular Formula: C7H8O3S. H2O
• Molecular Weight: 190.22
• Hs Code.: 29041000
• European Community (EC) Number: 612-715-0,695-067-1,953-847-1
• UNII: 3BTO78GAFF
• DSSTox Substance ID: DTXSID5044316
• Wikidata: Q27257015
• ChEMBL ID: CHEMBL3183883
• Mol file: 6192-52-5.mol

Synonyms:4-toluene sulfonate;4-toluenesulfonic acid;4-toluenesulfonic acid ammonium salt;4-toluenesulfonic acid monohydrate;4-toluenesulfonic acid, calcium salt;4-toluenesulfonic acid, copper (2+) salt;4-toluenesulfonic acid, ion (1+);4-toluenesulfonic acid, lithium salt;4-toluenesulfonic acid, magnesium salt;4-toluenesulfonic acid, potassium salt;4-toluenesulfonic acid, rubidium salt;4-toluenesulfonic acid, silver (+1) salt;4-toluenesulfonic acid, sodium salt;4-toluenesulfonic acid, zinc salt;p-toluene sulfonate;p-toluene sulphonic acid;p-toluenesulfonate;p-toluenesulfonate pyridinium;p-toluenesulfonic acid;para-toluene sulfonate;para-toluenesulfonic acid

Chemical Property of p-Toluenesulfonic acid monohydrate

Chemical Property:

• Appearance/Colour: white crystals
• Vapor Pressure: 4.06E-08mmHg at 25°C
• Melting Point: 96-99 °C(lit.)
• Refractive Index: 1,382-1,384
• Boiling Point: 428.9 °C at 760 mmHg
• Flash Point: 213.2 °C
• PSA: 71.98000
• Density: 1.24 g/cm³
• LogP: 2.25820
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Solubility.: H2O: 0.1 g/mL, clear
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 190.02997997
• Heavy Atom Count: 12
• Complexity: 206

Purity/Quality:

99%min ^*data from raw suppliers

p-Toluenesulfonic acid monohydrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,C
• Statements: 36/37/38-34-37
• Safety Statements: 26-37-45-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O
• Uses: Derivitizing agent. p-Toluenesulfonic acid monohydrate is used as a catalyst in the synthesis of resveratrol, in oxane derivatives as an antimalarial agent, as substituted piperidine and unsymmetrical benzyl. It acts as a catalyst in the preparation of 1,3,5-trisubstituted pyrazoles derivatives, selenated ketene dithioacetals, triazoloquinazolinone and benzimidazoquinazolinone derivatives. It also serves as an intermediate in the esterification and in reductive amination reactions. p-Toluenesulfonic acid monohydrate (p-TsOH·H2O) may be used as a catalyst in the synthesis of the following:Unsymmetrical benzils.Highly substituted piperidines.1,3,5-Trisubstituted benzenes by trimerization of alkynes.Triazoloquinazolinone and benzimidazoquinazolinone derivatives.1,3,5-Trisubstituted pyrazoles derivatives.Selenated ketene dithioacetals.