3-Amino-4-fluorobenzenesulfonic acid

Base Information

• Chemical Name: 3-Amino-4-fluorobenzenesulfonic acid
• CAS No.: 349-64-4
• Molecular Formula: C6H6FNO3S
• Molecular Weight: 191.181
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID30574502
• Wikidata: Q82463566
• Mol file: 349-64-4.mol

Synonyms:3-Amino-4-fluorobenzenesulfonic acid;349-64-4;3-amino-4-fluorobenzene-1-sulfonic acid;SCHEMBL14471903;DTXSID30574502;3-Amino-4-fluorobenzenesulfonicacid;MFCD12025945;3-Amino-4-fluorobenzenesulphonic acid;AKOS005073707;SS-3000;CS-0451500;J-511612

Chemical Property of 3-Amino-4-fluorobenzenesulfonic acid

Chemical Property:

• PKA: -1.24±0.50(Predicted)
• PSA: 88.77000
• Density: 1.611g/cm³
• LogP: 2.31660
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 191.00524239
• Heavy Atom Count: 12
• Complexity: 248

Purity/Quality:

98%Min ^*data from raw suppliers

3-amino-4-fluorobenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1S(=O)(=O)O)N)F

Technology Process of 3-Amino-4-fluorobenzenesulfonic acid

There total 7 articles about 3-Amino-4-fluorobenzenesulfonic 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: 83.5%

4-fluoro-3-nitrobenzenesulfonic acid potassium salt → 3-amino-4-fluorobenzenesulfonic acid (349-64-4)

Guidance literature:

With hydrogen; nickel; In water; Ambient temperature;

DOI:10.1002/hlca.19830660108

Reference yield: 60.2%

N-(2-fluorophenyl)acetamide (399-31-5) → 3-amino-4-fluorobenzenesulfonic acid (349-64-4)

Guidance literature:

With sulfuric acid; at 40 ℃; for 1.5h;

DOI:10.1002/hlca.19830660108

Reference yield: 54.0%

2-Fluoroaniline (348-54-9) → 3-amino-4-fluorobenzenesulfonic acid (349-64-4)

Guidance literature:

With sulfuric acid; at 50 ℃; for 1.5h;

DOI:10.1002/hlca.19830660108

upstream raw materials:

2-Fluoroaniline

N-(2-fluorophenyl)acetamide

fluorobenzene

ortho-nitrofluorobenzene

Refernces