4,4'-Diaminostilbene-2,2'-disulphonic acid

Base Information

• Chemical Name: 4,4'-Diaminostilbene-2,2'-disulphonic acid
• CAS No.: 81-11-8
• Deprecated CAS: 65941-98-2
• Molecular Formula: C14H14N2O6S2
• Molecular Weight: 370.407
• Hs Code.: 2921.59
• European Community (EC) Number: 201-325-2
• DSSTox Substance ID: DTXSID5024926
• ChEMBL ID: CHEMBL3185470
• Mol file: 81-11-8.mol

Synonyms:4,4'-Diaminostilbene-2,2'-disulphonic acid;DTXSID5024926;DASDA;CBDivE_007970;Benzene, 1,1'-(1,2-ethenediyl)bis-, diamino disulfo deriv;CHEMBL3185470;AKOS028108438;LS-1806;4,4'-diaminostilbene 2,2'-disulfonic acid;FT-0617028;4,4'-Diamino Stilbene 2,2' Disulfonic Acid;E76131;Q-200636;Q-200637;4,4 inverted exclamation marka-Diamino-2,2 inverted exclamation marka-stilbenedisulfonic acid

Chemical Property of 4,4'-Diaminostilbene-2,2'-disulphonic acid

Chemical Property:

• Appearance/Colour: Light yellow powder
• Vapor Pressure: 1.3hPa at 25℃
• Melting Point: 300 °C
• Refractive Index: 1.6510 (estimate)
• PKA: -1.58±0.50(Predicted)
• PSA: 177.54000
• Density: 1.662 g/cm³
• LogP: 4.83880
• Storage Temp.: -20°C Freezer
• Water Solubility.: <0.1 g/100 mL at 23 oC
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 370.02932852
• Heavy Atom Count: 24
• Complexity: 606

Purity/Quality:

99% ^*data from raw suppliers

4,4'-Diaminostilbene-2,2'-disulfonic acid, 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, Xn
• Hazard Codes: C,Xn
• Statements: 34-22-36/37/38-20/21/22
• Safety Statements: 24/25-45-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O
• Uses: In manufacture of dyes, bleaching agents. 4,4’-Diaminostilbene-2,2’-disulfonic Acid, 95+% (cas# 81-11-8) is a compound useful in organic synthesis.

Technology Process of 4,4'-Diaminostilbene-2,2'-disulphonic acid

There total 23 articles about 4,4'-Diaminostilbene-2,2'-disulphonic 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: 99.91%

4,4'-dinitrostilbene 2,2'-disulfonic acid (1211962-72-9,128-42-7) → 4,4'-diaminostilbene-2,2'-disulfonic acid (81-11-8)

Guidance literature:

4,4'-dinitrostilbene 2,2'-disulfonic acid; With iron oxide; iron; In water; at 60 - 70 ℃; pH=8 - 9;

With sodium hydroxide; In water; at 60 - 70 ℃; for 1h; pH=12 - 13;

With hydrogenchloride; In water; pH=0.5 - 1; Reagent/catalyst; Temperature; pH-value;

Reference yield: 73.0%

4-nitrotoluene-2-sulfonic acid (121-03-9) → 4,4'-diaminostilbene-2,2'-disulfonic acid (81-11-8)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; In water; diethylene glycol; for 3h; Reflux;

DOI:10.4314/bcse.v29i1.10

Reference yield:

4,4'-dinitrostilbene 2,2'-disulfonic acid (1211962-72-9,128-42-7) → 4-amino-4’-nitrostilbene-2,2’-disulfonic acid (119-72-2) + 4,4'-diaminostilbene-2,2'-disulfonic acid (81-11-8)

Guidance literature:

With hydrazine hydrate; In methanol; water; at 140 ℃; for 5h; under 750.075 Torr; Reagent/catalyst; Inert atmosphere;

DOI:10.1016/j.catcom.2019.105822

upstream raw materials:

4-nitrotoluene-2-sulfonic acid

4,4'-dinitrostilbene 2,2'-disulfonic acid

4-nitro-4'-amino-stilbene-2,2'-disulphonic acid

hydrogenchloride

Downstream raw materials:

5,5'-bis-(4,6-dimethoxy-[1,3,5]triazin-2-ylamino)-2,2'-ethene-1,2-diyl-bis-benzenesulfonic acid

5-amino-2-formyl-benzenesulfonic acid

5,5'-bis-(4-amino-6-chloro-[1,3,5]triazin-2-ylamino)-2,2'-ethene-1,2-diyl-bis-benzenesulfonic acid

Refernces

• 1、 -. "A reduction of nitro aromatic substituent amino aromatic of substituted method (by machine translation)". Paragraph 0043-0047; 0073-0077. . Retrieved 2019/06/13.
• 2、 -. "DSD acid preparation method". Paragraph 0083; 0084. . Retrieved 2017/11/03.