p-Toluenesulfonic acid monohydrate, ACS, 98.5+%, Thermo Scientific Chemicals

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 6192-52-5
• Molecular Formula: C7H10O4S
• Molecular Weight (g/mol): 190.213
• MDL Number: MFCD00142137
• InChI Key: KJIFKLIQANRMOU-UHFFFAOYSA-N
• Synonym: p-toluenesulfonic acid monohydrate, 4-methylbenzenesulfonic acid hydrate, 4-methylbenzenesulfonic acid monohydrate, p-toluene sulfonic acid monohydrate, unii-3bto78gaff, benzenesulfonic acid, 4-methyl-, monohydrate, ptoluenesulfonic acid, p-toluenesulfonic acid, monohydrate, 3bto78gaff, 4-methylbenzene-1-sulfonic acid hydrate
• PubChem CID: 521998
• IUPAC Name: 4-methylbenzenesulfonic acid;hydrate
• SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.O

• Melting Point: 103°C to 106°C (anhydrous)
• Boiling Point: 140°C (20mmHg)
• Color: Pink to White
• UN Number: UN2585
• Beilstein: 3568023
• Merck Index: 14,9533
• Formula Weight: 190.22 (172.20 Anhydrous)
• Percent Purity: ≥98.5%
• Grade: ACS
• Density: 1.24 g/mL
• Quantity: 100 g
• Flash Point: 150°C (302°F)
• Odor: Mild
• Physical Form: Crystalline
• Sensitivity: Hygroscopic
• Chemical Name or Material: p-Toluenesulfonic acid monohydrate

Safety and Handling

Product Identifier

• p-Toluenesulfonic acid monohydrate

Signal Word

• Danger

Hazard Category

• Serious eye damage/eye irritation Category 1
• Skin corrosion/irritation Category 1 B

Hazard Statement

• H314-Causes severe skin burns and eye damage.
• H318-Causes serious eye damage.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/soap.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

Supplemental information

• MIXTURE LIST-Contains : p-Toluenesulfonic acid monohydrate

RUO – Research Use Only