Benzene-1,3-disulfonamide

Base Information

• Chemical Name: Benzene-1,3-disulfonamide
• CAS No.: 3701-01-7
• Molecular Formula: C6H8 N2 O4 S2
• Molecular Weight: 236.273
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID20389041
• Nikkaji Number: J79.841J
• Wikidata: Q27116404
• Pharos Ligand ID: 66ZUYRXMPB4N
• Metabolomics Workbench ID: 70077
• ChEMBL ID: CHEMBL2324868
• Mol file: 3701-01-7.mol

Synonyms:benzene-1,3-disulfonamide;1,3-BENZENEDISULFONAMIDE;3701-01-7;m-Benzenedisulfonamide;CHEMBL2324868;benzene-1-3-disulfonamide;CHEBI:35085;Benzene-1,3-disulfonic acid diamide;Oprea1_338883;Oprea1_341490;SCHEMBL2398133;DTXSID20389041;HMS1679K09;BDBM50427224;MFCD00025383;AKOS000727614;AS-58370;B4917;CS-0215130;EN300-225840;Q27116404

Chemical Property of Benzene-1,3-disulfonamide

Chemical Property:

• Vapor Pressure: 1.56E-11mmHg at 25°C
• Melting Point: 233.0 to 237.0 °C
• Refractive Index: 1.618
• Boiling Point: 535.3°Cat760mmHg
• PKA: 9.34±0.60(Predicted)
• Flash Point: 277.5°C
• PSA: 137.08000
• Density: 1.603g/cm³
• LogP: 2.54360
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 235.99254909
• Heavy Atom Count: 14
• Complexity: 351

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Benzenedisulfonamide >98.0%(HPLC)(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of Benzene-1,3-disulfonamide

There total 5 articles about Benzene-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: 90.0%

benzene-1,3-disulfonyl chloride (585-47-7) → benzene-1,3-disulfonamide (3701-01-7)

Guidance literature:

With ammonia; In chloroform;

DOI:10.1002/jccs.200400200

Reference yield:

1,3-benzenedisulfonic acid disodium salt (831-59-4) → benzene-1,3-disulfonamide (3701-01-7)

Guidance literature:

Multi-step reaction with 2 steps

1: PCl₅ / 2 h

2: aq. NH₃

With ammonium hydroxide; phosphorus pentachloride;

DOI:10.1055/s-2005-861851

Reference yield:

→ benzene-1,3-disulfonamide (3701-01-7)

Guidance literature:

With ethanol; ammonia;

upstream raw materials:

benzene-1,3-disulfonyl chloride

1,3-benzenedisulfonic acid disodium salt

Downstream raw materials:

C₂₆H₂₁ClN₆O₆S₂

N,N,N',N'-tetrachlorobenzene-1,3-disulphonamide

N,N'-(benzene-1,3-disulfonyl)-bis-amidophosphoric acid tetraethyl ester

N,N'-bis-dichlorophosphoryl-benzene-1,3-disulfonamide

Refernces

• 1、 Ghorbani-Vaghei, Ramin,Jalili, Hamid. "Mild and regioselective bromination of aromatic compounds with N,N,N′,N′-Tetrabromobenzene-1,3-disulfonylamide and poly(N-bromobenzene-1,3-disulfonylamide)". . p. 1099 - 1102. Retrieved 2007/10/03.
• 2、 Ghorbani-Vaghei, Ramin,Azarifar, Davood,Khazaei, Ardeshir,Maleki, Behrooz. "N,N′,N,N′-tetrabromo-benzene-1,3-disulfonylamide as a novel reagent for oxidative aromatization of 1,3,5-trisubstituted pyrazolines under heterogeneous and solvent-free conditions". . p. 1877 - 1881. Retrieved 2007/10/03.