3,4-Diaminobenzenesulfonic acid

Base Information

• Chemical Name: 3,4-Diaminobenzenesulfonic acid
• CAS No.: 7474-78-4
• Molecular Formula: C6H8N2O3S
• Molecular Weight: 188.207
• Hs Code.: 2921420090
• European Community (EC) Number: 231-274-1
• NSC Number: 401086
• UNII: J9E8XPC6K2
• DSSTox Substance ID: DTXSID4064715
• Nikkaji Number: J168.265B
• Mol file: 7474-78-4.mol

Synonyms:3,4-Diaminobenzenesulfonic acid;7474-78-4;Benzenesulfonic acid, 3,4-diamino-;3,4-diaminobenzene-1-sulfonic acid;3,4-Diaminobenzenesulphonic acid;3,4-Diamino-benzenesulfonic acid;EINECS 231-274-1;NSC 401086;NSC-401086;EC 231-274-1;4-amino-3-ammoniobenzenesulfonate;3,4-Diaminobenzenesulfonicacid;J9E8XPC6K2;SCHEMBL391971;DTXSID4064715;BCP32008;3,4-diamino-1-benzenesulfonic acid;MFCD00270799;NSC401086;STK366703;AKOS003247432;AC-22311;AS-15525;CS-0157036;FT-0659936;1,2-PHENYLENEDIAMINE-4-SULFONIC ACID;EN300-104206;W-110224;3,4-Diaminobenzene-1-sulfonic acid

Chemical Property of 3,4-Diaminobenzenesulfonic acid

Chemical Property:

• Melting Point: -12 °C
• Refractive Index: n20/D 1.441(lit.)
• Boiling Point: 178-179 °C 3 mm Hg(lit.)
• PKA: -0.52±0.50(Predicted)
• Flash Point: >230 °F
• PSA: 114.79000
• Density: 1.611 g/cm³
• LogP: 2.34090
• Storage Temp.: -20°C
• Solubility.: hexane, toluene, ethanol and acetone: soluble
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 188.02556330
• Heavy Atom Count: 12
• Complexity: 246

Purity/Quality:

99.9% ^*data from raw suppliers

3,4-DiaminobenzenesulfonicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Diaminobenzenesulfonic acid

There total 11 articles about 3,4-Diaminobenzenesulfonic 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: 100.0%

1,2-diamino-benzene (95-54-5) → orthaminic acid (7474-78-4)

Guidance literature:

With sulfuric acid; at 180 ℃; for 0.416667h; Product distribution / selectivity;

Reference yield: 81.0%

2-nitroaniline-4-sulfonic acid (616-84-2) → orthaminic acid (7474-78-4)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In ethanol; under 2068.65 Torr;

DOI:10.1002/ardp.200900199

Reference yield:

2-nitro-aniline (88-74-4) → orthaminic acid (7474-78-4)

Guidance literature:

Multi-step reaction with 2 steps

1: fuming sulfuric acid

2: tin dichloride; hydrochloric acid

With hydrogenchloride; sulfuric acid; tin(ll) chloride;

upstream raw materials:

2-nitroaniline-4-sulfonic acid

2,2'-dinitro-azobenzene-4,4'-disulfonic acid

o-phenylenediamine hydrochloride

sulfuric acid

Downstream raw materials:

Benzimidazol-5-sulfonsaeure

2-(3,5-di-tert-butyl-2-hydroxyphenyl)-1H-benzimidazol-5⁽⁶⁾-sulfonic acid

2-(3-tert-butyl-2-hydroxyphenyl)-1H-benzimidazol-5⁽⁶⁾-sulfonic acid

2-(2,6-dichlorophenyl)-1H-benzimidazol-5⁽⁶⁾-sulfonic acid

Refernces

• 1、 -. "HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK". Paragraph 0235; 0516; 0517. . Retrieved 2014/05/20.
• 2、 -. "Sulfonation in continuous-flow microreactors". Page/Page column 9. . Retrieved 2012/06/05.