5-Amino-2-fluorobenzenesulfonic acid

Base Information

• Chemical Name: 5-Amino-2-fluorobenzenesulfonic acid
• CAS No.: 38962-61-7
• Molecular Formula: C6H6FNO3S
• Molecular Weight: 191.1801
• Hs Code.: 2921420090
• DSSTox Substance ID: DTXSID30512606
• Wikidata: Q82371935
• Mol file: 38962-61-7.mol

Synonyms:5-Amino-2-fluorobenzenesulfonic acid;38962-61-7;5-amino-2-fluorobenzene-1-sulfonic acid;5-Amino-2-Fluoro Benzene Sulfonic Acid;SCHEMBL1717388;DTXSID30512606;5-Amino-2-fluorobenzenesulfonicacid;AKOS015897561;AC-24479;CS-0268917;FT-0655478;EN300-95362;F74224;A824354

Chemical Property of 5-Amino-2-fluorobenzenesulfonic acid

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: ≥ 310 ℃
• Refractive Index: 1.604
• PKA: -1.66±0.42(Predicted)
• PSA: 88.77000
• Density: 1.61 g/cm³
• LogP: 2.31660
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• 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:

99% ^*data from raw suppliers

5-Amino-2-fluorobenzenesulfonicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)F

Technology Process of 5-Amino-2-fluorobenzenesulfonic acid

There total 7 articles about 5-Amino-2-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: 83.0%

4'-fluoroacetanilide (351-83-7) → 5-Amino-2-fluorbenzolsulfonsaeure (38962-61-7)

Guidance literature:

With sulfuric acid; at 60 - 65 ℃; for 4h;

DOI:10.1002/hlca.19820650212

Reference yield: 79.9%

2-Fluor-5-nitrobenzolsulfonsaeure Kaliumsalz → 5-Amino-2-fluorbenzolsulfonsaeure (38962-61-7)

Guidance literature:

With iron; In hydrogenchloride; at 90 - 95 ℃; for 30h;

DOI:10.1002/hlca.19820650212

Reference yield: 64.6%

4-fluoroaniline (371-40-4) → 5-Amino-2-fluorbenzolsulfonsaeure (38962-61-7)

Guidance literature:

With sulfuric acid; at 50 ℃; for 20h;

DOI:10.1002/hlca.19820650212

upstream raw materials:

4'-fluoroacetanilide

4-fluoroaniline

sulfuric acid

6-fluoro-3-nitroaniline

Downstream raw materials:

C₁₃H₈Cl₂FNO₆S

Refernces