9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-

Base Information

• Chemical Name: 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-
• CAS No.: 20241-75-2
• Molecular Formula: C28H22 N2 O4
• Molecular Weight: 450.494
• Hs Code.: 2922509090
• European Community (EC) Number: 243-631-9
• NSC Number: 508898,227205
• UNII: M5E2LAL0WJ
• DSSTox Substance ID: DTXSID6066577
• Nikkaji Number: J280.493J
• Wikidata: Q81993154
• Mol file: 20241-75-2.mol

Synonyms:Toluidine Blue Base;20241-75-2;1,5-Dihydroxy-4,8-bis((4-methylphenyl)amino)anthraquinone;M5E2LAL0WJ;9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-;EINECS 243-631-9;NSC227205;NSC 227205;NSC-227205;NSC-508898;1,5-dihydroxy-4,8-bis(p-tolylamino)anthracene-9,10-dione;1,5-Dihydroxy-4,8-p-toluidinoanthraquinone;9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis((4-methylphenyl)amino)-;9, 1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-;1,5-Dihydroxy-4,8-bis[(4-methylphenyl)amino]-9,10-anthracenedione;1,5-DIHYDROXY-4,8-BIS[(4-METHYLPHENYL)AMINO]ANTHRAQUINONE;1,5-DIHYDROXY-4,8-BIS((4-METHYLPHENYL)AMINO)-9,10-ANTHRACENEDIONE;NSC508898;UNII-M5E2LAL0WJ;DTXSID6066577;SCHEMBL11398684;1,5-dihydroxy-4,8-bis(4-methylanilino)anthracene-9,10-dione;1,5-BIS(4-TOLUIDINO)-4,8-DIHYDROXYANTHRAQUINONE;ANTHRAQUINONE, 1,5-DIHYDROXY-4,8-DI-P-TOLUIDINO-;1,5-BIS(4-METHYLANILINO)-4,8-DIHYDROXYANTHRAQUINONE;1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]anthracene-9,10-dione

Chemical Property of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-

Chemical Property:

• Vapor Pressure: 5.02E-17mmHg at 25°C
• Boiling Point: 641°Cat760mmHg
• Flash Point: 341.4°C
• PSA: 98.66000
• Density: 1.405g/cm³
• LogP: 6.12320
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 450.15795719
• Heavy Atom Count: 34
• Complexity: 681

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)O)NC5=CC=C(C=C5)C

Technology Process of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-

There total 5 articles about 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]- 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:

1,5-dihydroxyanthraquinone (117-12-4) → toluidine blue (20241-75-2)

Guidance literature:

Multi-step reaction with 2 steps

1: nitrobenzene; SO₂Cl₂

With sulfuryl dichloride; nitrobenzene;

DOI:10.1021/jo01205a009

Reference yield:

p-toluidine (106-49-0,12221-03-3) → toluidine blue (20241-75-2)

Guidance literature:

at 150 - 160 ℃;

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-dichloro-4,8-dihydroxyanthraquinone

p-toluidine

4,4'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracene-1,5-diyl-di-amino)-bis-toluene-3-sulfonic acid

1,5-dihydroxyanthraquinone

Downstream raw materials:

4,4'-(4,8-dihydroxy-9,10-dioxo-9,10-dihydro-anthracene-1,5-diyl-di-amino)-bis-toluene-3-sulfonic acid