9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy-

Base Information

• Chemical Name: 9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy-
• CAS No.: 6837-97-4
• Molecular Formula: C14H6 Cl2 O4
• Molecular Weight: 309.105
• Hs Code.: 2914700090
• European Community (EC) Number: 229-924-4
• NSC Number: 227208,30461
• UNII: 49GI1H30FB
• DSSTox Substance ID: DTXSID3064485
• Nikkaji Number: J8.845E
• Wikidata: Q27259281
• Mol file: 6837-97-4.mol

Synonyms:4,8-Dichloroanthrarufin;6837-97-4;Dichloroanthrarufin;9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy-;1,5-Dichloro-4,8-dihydroxyanthraquinone;Anthrarufin, 4,8-dichloro-;1,5-dichloro-4,8-dihydroxyanthracene-9,10-dione;Anthraquinone, 1,5-dichloro-4,8-dihydroxy-;NSC 30461;4,8-Dichloro-1,5-dihydroxyanthraquinone;1,5-dichloro-4,8-dihydroxy-anthraquinone;EINECS 229-924-4;NSC 227208;BRN 3154853;UNII-49GI1H30FB;49GI1H30FB;ANTHRAQUINONE, 4,8-DICHLORO-1,5-DIHYDROXY-;NSC-30461;NSC-227208;Anthrarufin,8-dichloro-;3-08-00-03791 (Beilstein Handbook Reference);9, 1,5-dichloro-4,8-dihydroxy-;Anthraquinone,5-dichloro-4,8-dihydroxy-;4,8-Dichloranthrarufin;SCHEMBL1323063;DTXSID3064485;NSC30461;NSC227208;LS-20663;1,5-dichloro-4,8-dihydroxy-anthracene-9,10-dione;1,5-Dichloro-4,8-dihydroxyanthra-9,10-quinone #;DICHLORO-4,8-DIHYDROXYANTHRAQUINONE, 1,5-;Q27259281

Chemical Property of 9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy-

Chemical Property:

• Vapor Pressure: 5.54E-13mmHg at 25°C
• Refractive Index: 1.5110 (estimate)
• Boiling Point: 556.3°C at 760 mmHg
• Flash Point: 290.2°C
• PSA: 74.60000
• Density: 1.718g/cm³
• LogP: 3.18000
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 307.9643141
• Heavy Atom Count: 20
• Complexity: 401

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)Cl)Cl

Technology Process of 9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy-

There total 1 articles about 9,10-Anthracenedione, 1,5-dichloro-4,8-dihydroxy- 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: 49.5%

1,5-dihydroxyanthraquinone (117-12-4) → 1,5-dichloro-4,8-dihydroxyanthraquinone (6837-97-4)

Guidance literature:

With sulfuryl dichloride; In nitrobenzene; at 20 ℃; for 22h; Heating / reflux;

Reference yield: 81.5%

1,5-dichloro-4,8-dihydroxyanthraquinone (6837-97-4) + p-toluenesulfonyl chloride (98-59-9) → 1,5-dichloro-4,8-bis(tosyloxy)-9,10-anthracenedione (109217-79-0)

Guidance literature:

With triethylamine; In dichloromethane; for 24h; Ambient temperature;

DOI:10.1021/jm00392a028

Reference yield:

1,5-dichloro-4,8-dihydroxyanthraquinone (6837-97-4) + p-toluidine (106-49-0,12221-03-3) → toluidine blue (20241-75-2)

Guidance literature:

DOI:10.1021/jo01205a009 DOI:10.1021/jo01195a010

upstream raw materials:

1,5-dihydroxyanthraquinone

Downstream raw materials:

4,4'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracene-1,4-diyldiamino)-bis-toluene-2-sulfonic acid

toluidine blue

1,5-dichloro-4,8-bis(tosyloxy)-9,10-anthracenedione

1,5-dichloro-4-<<2-(dimethylamino)ethyl>amino>-8-(tosyloxy)-9,10-anthracenedione