4-Amino-5,6-dichlorobenzene-1,3-disulfonamide

Base Information

• Chemical Name: 4-Amino-5,6-dichlorobenzene-1,3-disulfonamide
• CAS No.: 5250-72-6
• Molecular Formula: C6H7Cl2N3O4S2
• Molecular Weight: 320.177
• DSSTox Substance ID: DTXSID30381819
• Nikkaji Number: J1.003.857J
• Wikidata: Q82172907
• Pharos Ligand ID: 3LH19Y4P1LH1
• ChEMBL ID: CHEMBL269628
• Mol file: 5250-72-6.mol

Synonyms:4-amino-5,6-dichlorobenzene-1,3-disulfonamide;5250-72-6;4-amino-5,6-dichloro-1,3-benzenedisulfonamide;CHEMBL269628;4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid diamide;1,3-Benzenedisulfonamide, 4-amino-5,6-dichloro-;DTXSID30381819;BCP33628;BDBM50079043;MFCD00111296;AKOS005081648;CS-0331880;FT-0764428;4,5-Dichloro-6-amino-1,3-benzenedisulfonamide;F74536;4-amino-5,6-dichlorobenzene-1,3-disulphonamide;SR-01000307940;12W-0971;SR-01000307940-1

Chemical Property of 4-Amino-5,6-dichlorobenzene-1,3-disulfonamide

Chemical Property:

• PSA: 163.10000
• LogP: 4.01380
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 318.9255034
• Heavy Atom Count: 17
• Complexity: 482

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-5,6-dichlorobenzene-1,3-disulfonamide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)Cl)N)S(=O)(=O)N

Technology Process of 4-Amino-5,6-dichlorobenzene-1,3-disulfonamide

There total 4 articles about 4-Amino-5,6-dichlorobenzene-1,3-disulfonamide 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:

chloraminophenamide (121-30-2) → 4-amino-5,6-dichloro-benzene-1,3-disulfonic acid diamide (5250-72-6)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; acetic acid;

DOI:10.1021/jo01076a027

Reference yield:

4-amino-6-chloro-benzene-1,3-disulfonyl chloride (671-89-6) → 4-amino-5,6-dichloro-benzene-1,3-disulfonic acid diamide (5250-72-6)

Guidance literature:

Multi-step reaction with 2 steps

1: NH₃

2: aq. H₂O₂, AcOH, aq. HCl

With hydrogenchloride; ammonia; dihydrogen peroxide; acetic acid;

DOI:10.1021/jo01076a027

Reference yield:

3-chloro-aniline (108-42-9) → 4-amino-5,6-dichloro-benzene-1,3-disulfonic acid diamide (5250-72-6)

Guidance literature:

Multi-step reaction with 3 steps

1: ClSO₃H, NaCl / 150 °C

2: NH₃

3: aq. H₂O₂, AcOH, aq. HCl

With hydrogenchloride; chlorosulfonic acid; ammonia; dihydrogen peroxide; acetic acid; sodium chloride;

DOI:10.1021/jo01076a027

upstream raw materials:

chloraminophenamide

4-amino-6-chloro-benzene-1,3-disulfonyl chloride

3-chloro-aniline

Downstream raw materials:

4,6-diamino-5-chloro-benzene-1,3-disulfonic acid diamide

5,6-Dichlor-4-nitro-1,3-disulfamoyl-benzol

4,4'-(dithiodicarbonothioyl)dimorpholine

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