617-99-2

Basic information

• Product Name: 1,3,5-BENZENETRISULFONIC ACID
• Synonyms: benzene-1,3,5-trisulfonic acid
• CAS NO: 617-99-2
• Molecular Formula: C₆H₆O₉S₃
• Molecular Weight: 318.3
• Mol File: 617-99-2.mol
• Article Data: 1

Chemical Properties

• Melting Point: 123-124 °C
• Appearance: /
• Density: 2.017±0.06 g/cm3(Predicted)
• PKA: -2.14±0.50(Predicted)
• CAS DataBase Reference: 1,3,5-BENZENETRISULFONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-BENZENETRISULFONIC ACID(617-99-2)
• EPA Substance Registry System: 1,3,5-BENZENETRISULFONIC ACID(617-99-2)

Safety Data

• Hazardous Substances Data: 617-99-2(Hazardous Substances Data)

Usage

General Description

1,3,5-Benzene trisulfonic acid is an organic compound with the chemical formula C6H6O6S3. It is a colorless crystalline solid that is soluble in water and is commonly used as a catalyst in various organic reactions. It is also used as a counter ion for cationic dyes in the textile industry and as a corrosion inhibitor in water treatment. It is considered to be non-toxic and non-irritating, making it a safe option for various industrial applications. Additionally, it is used in the production of pharmaceuticals and as a chemical intermediate in the synthesis of other organic compounds. Its high solubility in water and versatile applications make it a valuable chemical in the field of organic chemistry and industrial production.

Upstream product

• 21538-06-7 1,3,5-benzenetrisulfonyl chloride 
• 64-17-5 ethanol 
• 34577-50-9 benzene-1,3,5-trisulfonic acid triethyl ester 
• 98-48-6 benzene-1,3-disulfonic acid 
• 71-43-2 benzene 
• 98-11-3 benzenesulfonic acid 
• 7664-93-9 sulfuric acid 
• 10425-31-7 benzene-1,4-disulfonic acid ; p-benzenedisulfonate sodium 

Downstream Products

• 108-73-6 3,5-dihydroxyphenol 
• 17724-16-2 3,5-dihydroxybenzene sulfonic acid 
• 34694-74-1 5-hydroxy-benzene-1,3-disulfonic acid 
• 108-70-3 1,3,5-trichlorobenzene 
• 554-95-0 benzene-1,3,5-tricarboxylic acid 

Relevant articles and documents

The positional reactivity order in the sulfur trioxide sulfonation of benzene and naphtalene derivatives containing an electron-withdrawing substituent

The reaction of sulfur trioxide with derivatives of benzene and naphthalene containing an electron-withdrawing substituent, viz.-SO3H, -SO2Ph, -NO2, -CHO, -COPh, -CO2H, and -CO2Me, in dichloromethane as solvent at ca. 22 deg C has been studied by analysis of the resulting mixtures of the sulfo derivatives with 1H-NMR.The initial sulfonation of the benzene derivatives yields the corresponding 3-sulfonic acid (3-S) and subsequently, with the exception of nitrobenzene and methyl benzoate, small amounts of 3,5-S2.Benzenesulfonic acid in addition undergoes sulfonylation giving 3,3'-di- and 3,5,3'-trisulfodiphenyl sulfone.Monosulfonation of naphtalene-1-S yields the 1,5-S2, 1,6-S2 and 1,7-S2 derivatives in a ratio of 71:20:9.On using a large excess of SO3, the eventual products are 1,3,5-S3, 1,3,6-S3 and 1,3,5,7-S4.Monosulfonation of naphthalene yields 5-S, 6-S, 7-S and 8-S in a 55:9:6:30 ratio, that of 1-benzoylnaphthalene 5-S, 6-S and 7-S in a ratio of 83:11:6, and 1-nitronaphtalene only the 5-S.The absence of peri sulfonation with 1-sulfo-, 1-benzoyl- and 1-nitronaphthalene is due to prohibitive steric hidrance. 1-Naphthoic acid and its methyl ester upon SO3 sulfonation and aqueous work-up both yield 5- and 8-sulfonaphthoic acid in a ratio of 65:35 and 77:21, respectively.The initially formed peri-substituted product is the intramolecular anhydride of 8-sulfo-1-naphthoic acid (5).All the 2-substituted naphthalenes yield 5-S and 8-S upon SO3 sulfonation of which the former sulfo isomer is far in excess.The positional reactivity orders for the SO3 sulfonation of the monosubstituted naphthalene derivatives are discussed in terms of the difference in reactivity of the α- and β-positions, and the steric and electronic effects of the deactivating substituent.