4-Sulfophthalic acid

Base Information

• Chemical Name: 4-Sulfophthalic acid
• CAS No.: 89-08-7
• Deprecated CAS: 1206967-57-8
• Molecular Formula: C8H6O7S
• Molecular Weight: 246.197
• Hs Code.: 29173995
• European Community (EC) Number: 201-881-6
• NSC Number: 100615
• UNII: T1SM5DOM66
• DSSTox Substance ID: DTXSID6026535
• Nikkaji Number: J168.772G
• Wikidata: Q27289554
• ChEMBL ID: CHEMBL3182294
• Mol file: 89-08-7.mol

Synonyms:4-SULFOPHTHALIC ACID;89-08-7;1,2-Benzenedicarboxylic acid, 4-sulfo-;Phthalic acid, 4-sulfo-;4-Sulphophthalic acid;4-sulfobenzene-1,2-dicarboxylic acid;HSDB 5264;EINECS 201-881-6;UNII-T1SM5DOM66;NSC 100615;T1SM5DOM66;DTXSID6026535;NSC-100615;4-Sulfophthalic Acid (contains 3-Sulfophthalic Acid) (ca. 50% in Water);4-Sulfophthalic acid, 50% aq. soln.;4-sulfophthalsyre;5-sulfophthalic acid;1, 4-sulfo-;4-SULFOPHTHALICACID;NCIOpen2_006963;SCHEMBL61251;4-Sulfophthalic acid solution;DTXCID506535;CHEMBL3182294;Tox21_202553;MFCD00007494;NSC100615;4-Sulfophthalic acid, 50% in water;AKOS005068176;CAS-89-08-7;NCGC00260102-01;BP-31217;LS-171205;CS-0204821;FT-0619468;W-100383;Q27289554

Chemical Property of 4-Sulfophthalic acid

Chemical Property:

• Appearance/Colour: clear slightly brown solution
• Refractive Index: n20/D 1.447
• Boiling Point: 92 °C
• PKA: -1.40±0.50(Predicted)
• PSA: 137.35000
• Density: 1.793 g/cm³
• LogP: 1.41050
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 245.98342370
• Heavy Atom Count: 16
• Complexity: 393

Purity/Quality:

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

4-Sulfophthalic Acid (contains 3-Sulfophthalic Acid)(ca. 50% in Water) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-28-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)C(=O)O
• Uses: 4-Sulfophthalic acid is used a reagent for the reaction with ethylhexanol(E918755) in the preparation of a plasticizing dopant for poly(aniline).

Technology Process of 4-Sulfophthalic acid

There total 19 articles about 4-Sulfophthalic 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:

2-naphthalenesulphonamide (1576-47-2) → 4-sulfophthalic acid (89-08-7) + benzene-1,2-dicarboxylic acid (88-99-3,73607-73-5)

Guidance literature:

at 100 ℃;

Reference yield:

phthalic anhydride (85-44-9) → 4-sulfophthalic acid (89-08-7)

Guidance literature:

With sulfuric acid; sulfur trioxide; at 190 - 200 ℃; schliesslich 210grad;

Reference yield:

8-hydroxy-5,7-dinitro-2-naphthalenesulfonic acid (483-84-1) → 4-sulfophthalic acid (89-08-7)

Guidance literature:

With nitric acid;

upstream raw materials:

phthalic anhydride

8-hydroxy-5,7-dinitro-2-naphthalenesulfonic acid

benzene-1,2-dicarboxylic acid

sulfuric acid

Refernces