3-Phosphonobenzene-1-sulfonic acid

Base Information

• Chemical Name: 3-Phosphonobenzene-1-sulfonic acid
• CAS No.: 126180-64-1
• Molecular Formula: C6H7O6PS
• Molecular Weight: 238.158
• DSSTox Substance ID: DTXSID20565161
• Nikkaji Number: J1.289.556I
• Wikidata: Q82450113
• Mol file: 126180-64-1.mol

Synonyms:126180-64-1;m-sulfophenylphosphonic acid;m-sulfophenyl phosphonic acid;3-sulfophenyl phosphonic acid;SCHEMBL2172519;DTXSID20565161;LEMVIJSLQFNZOM-UHFFFAOYSA-N;3-Phosphonobenzene-1-sulfonic acid

Chemical Property of 3-Phosphonobenzene-1-sulfonic acid

Chemical Property:

• XLogP3: -1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 237.97009611
• Heavy Atom Count: 14
• Complexity: 338

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)P(=O)(O)O

Technology Process of 3-Phosphonobenzene-1-sulfonic acid

There total 5 articles about 3-Phosphonobenzene-1-sulfonic 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: 100.0%

phenylphosphonate (1571-33-1) → benzenephosphono-3-sulphonic acid (126180-64-1)

Guidance literature:

With sulfur trioxide; In 1,2-dichloro-ethane; at 84 ℃; for 24h; Product distribution; var. reaction cond. (solvents, temp, time); effect of var. mole ratio of reactants;

Reference yield: 59.0%

phenylphosphonate (1571-33-1) → benzenephosphono-3-sulphonic acid (126180-64-1)

Guidance literature:

at 150 ℃; for 3h;

DOI:10.1039/b410222c

Reference yield: 59.0%

phenylphosphonate (1571-33-1) → benzenephosphono-3-sulphonic acid (126180-64-1)

Guidance literature:

at 150 ℃; for 3h;

DOI:10.1039/b408536a

upstream raw materials:

phenylphosphonate

phenylphosphonous acid