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

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

Uses

Used in Organic Chemistry:
1,3,5-Benzene trisulfonic acid is used as a catalyst in various organic reactions due to its ability to facilitate and speed up chemical processes without being consumed in the reaction.
Used in the Textile Industry:
In the textile industry, 1,3,5-Benzene trisulfonic acid is used as a counter ion for cationic dyes, enhancing the colorfastness and quality of dyed fabrics.
Used in Water Treatment:
1,3,5-Benzene trisulfonic acid serves as a corrosion inhibitor in water treatment, helping to prevent the deterioration of metal surfaces in contact with water, thereby extending the life of equipment and infrastructure.
Used in Pharmaceutical Production:
1,3,5-BENZENETRISULFONIC ACID is utilized in the production of pharmaceuticals, contributing to the development of new drugs and medicines.
Used as a Chemical Intermediate:
1,3,5-Benzene trisulfonic acid is employed as a chemical intermediate in the synthesis of other organic compounds, playing a crucial role in the creation of a variety of chemical products.

Upstream product

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

Downstream Products

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