4,4'-Dinitrostilbene-2,2'-disulfonic acid

Base Information

• Chemical Name: 4,4'-Dinitrostilbene-2,2'-disulfonic acid
• CAS No.: 78333-25-2
• Deprecated CAS: 1185243-97-3
• Molecular Formula: C14H10N2O10S2
• Molecular Weight: 430.373
• European Community (EC) Number: 204-885-6,223-051-2
• UNII: 6ND7PC82E2
• ChEMBL ID: CHEMBL2074646
• DSSTox Substance ID: DTXSID401029491
• Metabolomics Workbench ID: 27958
• Nikkaji Number: J489.414F,J6.570F,J1.512.266H,J2.574.667H
• NSC Number: 1793
• Wikidata: Q27896130
• Wikipedia: Disodium_4,4%27-dinitrostilbene-2,2%27-disulfonate
• Mol file: 78333-25-2.mol

Synonyms:2,2'-(1,2-ethenediyl)bis(5-nitrobenzenesulfonic acid);2,2'-stilbenedisulfonic acid, 4,4'-dinitro-;2,2'-stilbenedisulfonic acid, 4,4'-dinitro-, disodium salt;4,4'-dinitro-2,2'-stilbene disulfonate disodium salt;4,4'-dinitro-2,2'-stilbenedisulfonic acid;4,4'-dinitro-2,2'-stilbenedisulfonic acid, (E)-isomer;4,4'-dinitro-2,2'-stilbenedisulfonic acid, (Z)-isomer;4,4'-dinitro-2,2'-stilbenedisulfonic acid, disodium salt;4,4'-dinitro-2,2'-stilbenedisulfonic acid, sodium salt;4,4'-dinitrostilbene-2,2'-disulphonic acid;benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-nitro-, sodium salt (1:2);dinitrostilbenedisulfonic acid;disodium 4,4'-dinitro-2,2'-stilbenedisulfonate;DNDS

Chemical Property of 4,4'-Dinitrostilbene-2,2'-disulfonic acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 429.97768687
• Heavy Atom Count: 28
• Complexity: 761

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrobenzesulfonic Acids
• Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O

Technology Process of 4,4'-Dinitrostilbene-2,2'-disulfonic acid

There total 2 articles about 4,4'-Dinitrostilbene-2,2'-disulfonic 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: 64.0%

2-methyl-5-nitro-benzenesulfonic acid, 2,2-dimethylpropyl ester (299181-86-5) → 4,4'-dinitro-stilbene-2,2'-disulphonic acid (78333-25-2,128-42-7)

Guidance literature:

In hexane; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

→ 4,4'-dinitro-stilbene-2,2'-disulphonic acid (78333-25-2,128-42-7)

Guidance literature:

Reference yield:

4,4'-dinitro-stilbene-2,2'-disulphonic acid (78333-25-2,128-42-7) → cis-4,4'-dinitrostilbene-2,2'-disulfonic acid (98367-20-5) + trans-4,4'-diaminostilbene-2,2'-disulfonic acid (28096-93-7)

Guidance literature:

With hydrogen; cadmium(II) carbonate; palladium; In water; at 29.9 ℃; under 22501.8 Torr; pH 9;

upstream raw materials:

2-methyl-5-nitro-benzenesulfonic acid, 2,2-dimethylpropyl ester

Downstream raw materials:

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

trans-4,4'-diaminostilbene-2,2'-disulfonic acid

6,6'-(ethane-1,2-diyl)bis(3-aminobenzenesuIfonic acid)

cis-4,4'-Dinitro-2,2'-disulfonylstilbene