3-Aminobenzenesulfonamide

Base Information

• Chemical Name: 3-Aminobenzenesulfonamide
• CAS No.: 98-18-0
• Deprecated CAS: 4431-73-6
• Molecular Formula: C6H8N2O2S
• Molecular Weight: 172.208
• Hs Code.: 29350090
• European Community (EC) Number: 202-646-0
• NSC Number: 7542
• UNII: DW73A2TD9A
• DSSTox Substance ID: DTXSID5059161
• Nikkaji Number: J4.950F
• Wikidata: Q72437928
• Pharos Ligand ID: NQ4WNRKBSGXH
• ChEMBL ID: CHEMBL6852
• Mol file: 98-18-0.mol

Synonyms:3-AMINOBENZENESULFONAMIDE;98-18-0;Metanilamide;m-Aminobenzenesulfonamide;Benzenesulfonamide, 3-amino-;m-Sulfamoylaniline;3-Aminobenzene-1-Sulfonamide;Benzenesulfonamide, m-amino-;m-Aminobenzenesulphonamide;Metaniilamide;3-Aminosulfonylaniline;3-Amino-benzenesulfonamide;3-Aminobenzenesulphonamide;NSC 7542;EINECS 202-646-0;MFCD00035781;BRN 0511851;CHEMBL6852;NSC-7542;4-14-00-02648 (Beilstein Handbook Reference);m-sulfamylaniline;NSC7542;3-sulfamoyl-aniline;m-aminobenzensulfonamid;3-sulfamoyl-phenylamine;3-aminobenzensulfonamide;3-azanylbenzenesulfonamide;3-aminobenzene sulfonamide;3-aminobenzene-sulfonamide;3-Amino Benzenesulfonamide;D0J2AE;Aminobenzenesulfonamide, 3-;DW73A2TD9A;1-aminobenzene-3-sulfonamide;m-Amino benzene sulfonanilide;SCHEMBL189005;3-Aminobenzenesulfonamide, 98%;DTXSID5059161;M-AMINOBENZENE SULFONAMIDE;BBL013173;BDBM50079047;STK982182;AKOS000298884;CS-W019528;PS-3071;SDCCGMLS-0066234.P001;3-[(Thien-2-ylacetyl)amino]benzoicacid;NCGC00333709-01;LS-89886;SY048182;FT-0615023;EN300-02109;D77854;AB01329300-02;A845821;W-100089;Z56792385;F0728-0012

Chemical Property of 3-Aminobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 2.75E-07mmHg at 25°C
• Melting Point: 139 °C
• Refractive Index: 1.627
• Boiling Point: 420.7 °C at 760 mmHg
• PKA: 10.34±0.60(Predicted)
• Flash Point: 208.3 °C
• PSA: 94.56000
• Density: 1.427 g/cm³
• LogP: 2.27850
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: 11.96g/L(24 oC)
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 172.03064868
• Heavy Atom Count: 11
• Complexity: 219

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Aminobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Aminobenzenesulfonamide

There total 6 articles about 3-Aminobenzenesulfonamide 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: 93.0%

3-nitrophenylsulfonamide (121-52-8) → m-aminobenzenesulfonamide (98-18-0)

Guidance literature:

With hydrogen; nickel; In methanol; at 50 ℃; for 4h; under 3620.13 Torr;

Reference yield:

3-nitrobenzenesulphonyl chloride (121-51-7) → m-aminobenzenesulfonamide (98-18-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 40 percent / NH₃; TEA; DMAP / tetrahydrofuran / 20 °C

2: 80 percent / Fe; NH₄Cl / ethanol; H₂O / 3 h / 90 °C

With dmap; TEA; ammonia; iron; ammonium chloride; In tetrahydrofuran; ethanol; water;

DOI:10.1016/j.bmcl.2006.10.002

Reference yield:

→ m-aminobenzenesulfonamide (98-18-0)

Guidance literature:

With hydrogenchloride; tin;

DOI:10.1021/ja01853a044

upstream raw materials:

3-nitrophenylsulfonamide

3-amino-benzenesulfonyl fluoride; hydrochloride

3-nitrobenzenesulphonyl chloride

sodium 3-nitrobenzenesulfonate

Downstream raw materials:

3-acetoacetylamino-benzenesulfonic acid amide

1-(methylcarbonylaminosulphonyl)-3-aminobenzene

3-methanesulfonylamino-benzenesulfonamide

N-(3-(aminosulfonyl)phenyl)-4-(trifluoromethoxy)benzamide

Refernces

• 1、 Ioannou, Dimitris I.,Gioftsidou, Dimitra K.,Tsina, Vasiliki E.,Kallitsakis, Michael G.,Hatzidimitriou, Antonios G.,Terzidis, Michael A.,Angaridis, Panagiotis A.,Lykakis, Ioannis N.. "Selective Reduction of Nitroarenes to Arylamines by the Cooperative Action of Methylhydrazine and a Tris(N-heterocyclic thioamidate) Cobalt(III) Complex". . p. 2895 - 2906. Retrieved 2021/02/27.
• 2、 -. "N,N'-bis-substituted aryl thiourea derivatives and synthetic method and application thereof". Paragraph 0069-0071. . Retrieved 2017/04/26.