Disperse blue 7

Base Information

• Chemical Name: Disperse blue 7
• CAS No.: 3179-90-6
• Molecular Formula: C18H18 N2 O6
• Molecular Weight: 358.351
• Hs Code.: 2922509090
• European Community (EC) Number: 221-666-0
• NSC Number: 227207
• UNII: 77Q1DI38FQ
• DSSTox Substance ID: DTXSID8025208
• Nikkaji Number: J34.100B
• Wikidata: Q27266599
• ChEMBL ID: CHEMBL3248529
• Mol file: 3179-90-6.mol

Synonyms:disperse blue 7

Chemical Property of Disperse blue 7

Chemical Property:

• Vapor Pressure: 4.16E-24mmHg at 25°C
• Melting Point: 215-220ºC
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 757.4°Cat760mmHg
• PKA: 7.11±0.20(Predicted)
• Flash Point: 411.8°C
• PSA: 139.12000
• Density: 1.607g/cm³
• LogP: 0.82760
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 358.11648630
• Heavy Atom Count: 26
• Complexity: 484

Purity/Quality:

99.0% ^*data from raw suppliers

DisperseBlue7 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1NCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCO
• Uses: Disperse Blue 7 is a textile disperse dye. Dyes and metabolites, Environmental Testing.

Technology Process of Disperse blue 7

There total 6 articles about Disperse blue 7 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: 97.0%

5,8-Dihydroxy-1,4-bis-(2-hydroxy-ethylamino)-2,3-dihydro-anthraquinone (112996-70-0) → 5,8-dihydroxy-1,4-bis<<2-hydroxyethyl>amino>-9,10-anthracenedione (3179-90-6)

Guidance literature:

With benzofurazan oxide; In various solvent(s); at 70 ℃; for 16h;

DOI:10.1080/00397919208021304

Reference yield:

leuco-1,4,5,8-tetrahydroxyanthraquinone (23478-60-6) + ethanolamine (141-43-5) → 5,8-dihydroxy-1,4-bis<<2-hydroxyethyl>amino>-9,10-anthracenedione (3179-90-6)

Guidance literature:

With sodium dithionite; ethanol; boric acid; Erhitzen des Reaktionsprodukts mit SOCl₂ und Nitrobenzol;

Reference yield:

ethanolamine (141-43-5) → 5,8-dihydroxy-1,4-bis<<2-hydroxyethyl>amino>-9,10-anthracenedione (3179-90-6)

Guidance literature:

With pyridine;

DOI:10.1021/jo01205a009

upstream raw materials:

leuco-1,4,5,8-tetrahydroxyanthraquinone

ethanolamine

1,4,5,8-tetrahydro-anthraquinone

5,8-Dihydroxy-1,4-bis-(2-hydroxy-ethylamino)-2,3-dihydro-anthraquinone

Downstream raw materials:

novantrone

Refernces