2-Sulfobenzoic acid

Base Information

• Chemical Name: 2-Sulfobenzoic acid
• CAS No.: 632-25-7
• Molecular Formula: C7H6O5S
• Molecular Weight: 202.188
• Hs Code.: 2916399090
• European Community (EC) Number: 211-176-5
• UNII: O9W37198EZ
• DSSTox Substance ID: DTXSID6060894
• Nikkaji Number: J205.903G
• Wikidata: Q27285527
• Mol file: 632-25-7.mol

Synonyms:2-sulfobenzoic acid;2-sulfobenzoic acid, diammonium salt;2-sulfobenzoic acid, dipotassium salt;2-sulfobenzoic acid, disodium salt;2-sulfobenzoic acid, monoammonium salt;2-sulfobenzoic acid, monosodium salt;2-sulfobenzoic acid, trihydrate salt;ortho-sulphobenzoic acid

Chemical Property of 2-Sulfobenzoic acid

Chemical Property:

• Appearance/Colour: white solid
• Melting Point: 142 °C
• PKA: -1.12±0.15(Predicted)
• PSA: 100.05000
• Density: 1.62 g/cm³
• LogP: 1.71230
• Storage Temp.: 2-8°C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 201.99359446
• Heavy Atom Count: 13
• Complexity: 289

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-SulfobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-22
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)O
• Uses: Manufacture of sulfonaphthalein indicators, dyes.

Technology Process of 2-Sulfobenzoic acid

There total 69 articles about 2-Sulfobenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 85.0%

saccharin (81-07-2) → 2-sulfobenzoic acid (632-25-7)

Guidance literature:

With sulfuric acid; water; at 90 ℃; for 2h;

DOI:10.1080/17415990903480361

Reference yield: 16.0%

potassium cyanide + saccharin (81-07-2) → 2-sulfobenzoic acid (632-25-7) + 2-(cyanosulfonyl)benzamide (1314126-03-8) + 2-carboxamidebenzenesulfonic acid (41363-39-7)

Guidance literature:

potassium cyanide; saccharin; at 130 - 170 ℃; Inert atmosphere;

With water; acetic acid;

DOI:10.2174/157017811795685045

Reference yield:

2-sulfobenzoic acid cyclic anhydride (81-08-3) → 2-sulfobenzoic acid (632-25-7)

Guidance literature:

With water; In acetone; acetonitrile; at -10 ℃; Kinetics; Solvolysis;

DOI:10.3184/174751915X14412072517781

upstream raw materials:

methyl 2-(aminosulfonyl)benzoate

o-toluenesulfonic acid

2,2'-dithiobenzoic acid

benzoyl sulfate

Downstream raw materials:

3-sulfosalicylic acid

benzoic acid

2-carboxamidebenzenesulfonic acid

2-chlorosulfonylbenzoyl chloride

Refernces

• 1、 Oshima,Nagai. "". . p. 1558,1559, 1561. Retrieved 1977.
• 2、 Drochioiu, Gabi,Deleanu, Calin,Rusu, Elena,Mangalagiu, Ionel. "Saccharin reaction with cyanide". experimental part. p. 315 - 319. Retrieved 2012/06/01.
• 3、 -. "Process for the preparation of aromatic O-sulfocarboxylic acids and sulfonylureas". . . Retrieved 2008/06/13.