1,8-Di(phenylthio)anthraquinone

Base Information

• Chemical Name: 1,8-Di(phenylthio)anthraquinone
• CAS No.: 13676-91-0
• Deprecated CAS: 106768-99-4
• Molecular Formula: C26H16O2S2
• Molecular Weight: 424.544
• Hs Code.: 3204120000
• European Community (EC) Number: 237-167-6,600-776-6
• NSC Number: 156516
• DSSTox Substance ID: DTXSID9065576
• Nikkaji Number: J55.748J
• Wikidata: Q72508500
• ChEMBL ID: CHEMBL1569566
• Mol file: 13676-91-0.mol

Synonyms:1,8-Di(phenylthio)anthraquinone;13676-91-0;Solvent Yellow 163;1,8-Bis(phenylthio)-9,10-anthracenedione;9,10-Anthracenedione, 1,8-bis(phenylthio)-;1,8-Bis(phenylthio)anthraquinone;1,8-bis(phenylsulfanyl)anthracene-9,10-dione;106768-99-4;MLS000766193;EINECS 237-167-6;Anthraquinone, 1,8-bis(phenylthio)-;NSC 156516;EC 237-167-6;NSC156516;C.I.58840;9, 1,8-bis(phenylthio)-;SCHEMBL3459973;CHEMBL1569566;DTXSID9065576;Anthraquinone,8-bis(phenylthio)-;C26H16O2S2;HMS2811A19;NSC-156516;NCGC00246955-01;SMR000448708

Chemical Property of 1,8-Di(phenylthio)anthraquinone

Chemical Property:

• Appearance/Colour: Colorless transparent liquid
• Vapor Pressure: 0Pa at 20℃
• Melting Point: 187 °C(Solv: chloroform (67-66-3); acetone (67-64-1))
• Refractive Index: 1.707
• Boiling Point: 618.9 °C at 760 mmHg
• Flash Point: 262.3 °C
• PSA: 84.74000
• Density: 1.4 g/cm³
• LogP: 6.76440
• Water Solubility.: 1.29mg/L at 20℃
• XLogP3: 7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 424.05917210
• Heavy Atom Count: 30
• Complexity: 573

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4SC5=CC=CC=C5

Technology Process of 1,8-Di(phenylthio)anthraquinone

There total 3 articles about 1,8-Di(phenylthio)anthraquinone 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: 87.3%

1,8-dinitroanthraquinone (129-39-5) + chlorobenzene (108-90-7) → 1,8-bis(phenylthio)anthracene-9,10-dione (13676-91-0)

Guidance literature:

chlorobenzene; With potassium hydrosulfide; 18-crown-6 ether; In dimethyl sulfoxide; at 110 - 120 ℃; for 16h; Large scale;

1,8-dinitroanthraquinone; In dimethyl sulfoxide; at 40 - 50 ℃; Solvent; Reagent/catalyst; Large scale;

Reference yield:

1,8-dichloroanthraquinone (82-43-9) + thiophenol (108-98-5) → 1,8-bis(phenylthio)anthracene-9,10-dione (13676-91-0)

Guidance literature:

With potassium hydroxide; In ethanol; water; at 0 - 110 ℃; Large scale;

Reference yield:

→ 1,8-bis(phenylthio)anthracene-9,10-dione (13676-91-0)

Guidance literature:

1,8-Dichloranthrachinon 5, Cu-Thiophenolat;

upstream raw materials:

1,8-dinitroanthraquinone

chlorobenzene

1,8-dichloroanthraquinone

thiophenol

Refernces