2,6-Dichloroindophenol

Base Information

• Chemical Name: 2,6-Dichloroindophenol
• CAS No.: 537-14-4
• Molecular Formula: C₁₂H₇Cl₂NO₂
• Molecular Weight: 268.099
• European Community (EC) Number: 213-479-8
• UNII: C35QN2Z58B
• DSSTox Substance ID: DTXSID7061352,DTXSID501174455
• Nikkaji Number: J227.502C,J2.485.135D
• Wikipedia: Dichlorophenolindophenol
• Wikidata: Q420284,Q106039723
• Metabolomics Workbench ID: 51323
• ChEMBL ID: CHEMBL500871,CHEMBL198157
• Mol file: 537-14-4.mol

Synonyms:2,6 Dichlorobenzenoneindophenol Dye;2,6 Dichloroindophenol;2,6 Dichlorophenolindophenol;2,6-Dichlorobenzenoneindophenol Dye;2,6-Dichloroindophenol;2,6-Dichloroindophenol, Sodium;2,6-Dichlorophenolindophenol;Dichloroindophenol, 2,6;Dichlorophenol Indophenol;Dichlorophenolindophenol;Dye, 2,6-Dichlorobenzenoneindophenol;Indophenol, Dichlorophenol;Reagent, Tillmans;Reagent, Tillmans';Sodium 2,6 Dichloroindophenol;Sodium 2,6-Dichloroindophenol;Tillman Reagent;Tillman's Reagent;Tillmans Reagent;Tillmans' Reagent

Chemical Property of 2,6-Dichloroindophenol

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 266.9853839
• Heavy Atom Count: 17
• Complexity: 373

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Other Dyes
• Canonical SMILES: C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Cl)O)Cl

Technology Process of 2,6-Dichloroindophenol

There total 17 articles about 2,6-Dichloroindophenol 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: 78.0%

2,6-dichloroquinone-4-chloroimide (101-38-2) + 4-Fluorophenol (371-41-5) → dichlorophenolindophenol (537-14-4)

Guidance literature:

With borate buffer; In ethanol; for 2h;

DOI:10.1021/ac00268a052

Reference yield: 65.0%

2,6-dichloroquinone-4-chloroimide (101-38-2) + 4-propoxyphenol (18979-50-5) → dichlorophenolindophenol (537-14-4)

Guidance literature:

With borate buffer; In ethanol; for 2h;

DOI:10.1021/ac00268a052

Reference yield: 64.0%

2,6-dichloroquinone-4-chloroimide (101-38-2) + 4-methoxy-phenol (150-76-5) → dichlorophenolindophenol (537-14-4)

Guidance literature:

With borate buffer; In ethanol; for 2h;

DOI:10.1021/ac00268a052

upstream raw materials:

2,6-dichloroquinone-4-chloroimide

phenol

p-cresol

4-Fluorophenol

Downstream raw materials:

diisopropyl sulfide

2,6-Dichloroindophenol reduced

2,2'-dithiobispropanoic acid

Dipropyl disulfide

Refernces

• 1、 Pallagi, Istvan,Toro, Andras,Farkas, Oedoen. "Mechanism of the Gibbs Reaction. 3. Indophenol Formation via Radical Electrophilic Aromatic Substitution (SREAr) on Phenols". . p. 6543 - 6557. Retrieved 2007/10/02.