3-Fluoro-4-hydrazino-benzenesulfonamide

Base Information

• Chemical Name: 3-Fluoro-4-hydrazino-benzenesulfonamide
• CAS No.: 606126-17-4
• Molecular Formula: C6H8FN3O2S
• Molecular Weight: 205.213
• DSSTox Substance ID: DTXSID90448811
• Wikidata: Q82267974
• Pharos Ligand ID: 2R6KPJU5DCRD
• ChEMBL ID: CHEMBL176180
• Mol file: 606126-17-4.mol

Synonyms:3-Fluoro-4-hydrazino-benzenesulfonamide;606126-17-4;3-fluoro-4-hydrazinylbenzenesulfonamide;hydrazide deriv. 15;3-fluoro-4-hydrazinobenzenesulfonamide;D01YHK;CHEMBL176180;SCHEMBL1244816;BDBM12160;DTXSID90448811;IDSRHQBHQWPDNY-UHFFFAOYSA-N;4-Hydrazino-3-fluorobenzenesulfonamide;AKOS013645919;PD181391;3-fluoro-4-hydrazinylbenzene-1-sulfonamide

Chemical Property of 3-Fluoro-4-hydrazino-benzenesulfonamide

Chemical Property:

• PSA: 106.59000
• LogP: 2.31310
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 205.03212584
• Heavy Atom Count: 13
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

3-fluoro-4-hydrazinylbenzenesulfonamide 97.00% ^*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)N)F)NN

Technology Process of 3-Fluoro-4-hydrazino-benzenesulfonamide

There total 4 articles about 3-Fluoro-4-hydrazino-benzenesulfonamide 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: 81.0%

3,4-difluoro-1-benzenesulfonamide (108966-71-8) → 3-fluoro-4-hydrazino-1-benzenesulfonamide (606126-17-4)

Guidance literature:

With hydrazine; In acetonitrile; for 6h; Heating;

DOI:10.1021/jm020563g

Reference yield:

4-amino-3-fluorobenzenesulfonamide (2368-84-5) → 3-fluoro-4-hydrazino-1-benzenesulfonamide (606126-17-4)

Guidance literature:

4-amino-3-fluorobenzenesulfonamide; With hydrogenchloride; sodium nitrite; at 5 - 10 ℃;

With hydrogenchloride; tin(ll) chloride; at 5 - 10 ℃; for 2h;

DOI:10.1021/jm0494826

Reference yield:

ortho-difluorobenzene (367-11-3) → 3-fluoro-4-hydrazino-1-benzenesulfonamide (606126-17-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / ClSO₃H / 4 h / 0 °C

2: 44 percent / aq. NH₃ / dioxane / 6 h / 0 °C

3: 81 percent / NH₂NH₂ / acetonitrile / 6 h / Heating

With chlorosulfonic acid; ammonium hydroxide; hydrazine; In 1,4-dioxane; acetonitrile;

DOI:10.1021/jm020563g

upstream raw materials:

3,4-difluoro-1-benzenesulfonamide

4-amino-3-fluorobenzenesulfonamide

ortho-difluorobenzene

3,4-difluorobenzenesulfonyl chloride