1,5-Dihydroxy-4,8-dinitroanthraquinone

Base Information

• Chemical Name: 1,5-Dihydroxy-4,8-dinitroanthraquinone
• CAS No.: 128-91-6
• Molecular Formula: C14H6N2O8
• Molecular Weight: 330.21
• Hs Code.: 2914700090
• European Community (EC) Number: 204-918-4
• NSC Number: 37584
• DSSTox Substance ID: DTXSID5059589
• Nikkaji Number: J5.418F
• Wikidata: Q72466637
• Mol file: 128-91-6.mol

Synonyms:1,5-Dihydroxy-4,8-dinitroanthraquinone;128-91-6;1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione;9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-;Anthrarufin, 4,8-dinitro-;1,5-Dinitro-4,8-dihydroxyanthraquinone;EINECS 204-918-4;NSC 37584;4,8-Dihydroxy-1,5-dinitroanthraquinone;4,8-Dinitro-1,5-dihydroxyanthraquinone;4,8-Dinitroanthrarufin;NSC37584;Anthrarufin,8-dinitro-;4,5-dinitroanthraquinone;Anthrarufin, 4,8-dinitro;SCHEMBL3501895;DTXSID5059589;CUIHODIOWPLCMG-UHFFFAOYSA-N;9, 1,5-dihydroxy-4,8-dinitro-;NSC-37584;AKOS000668922;Anthraquinone,5-dihydroxy-4,8-dinitro-;1,5-Dihydroxy-4,8-dinitro-anthrachinon;AS-67727;Anthraquinone, 1,5-dihydroxy-4,8-dinitro-;D2727;FT-0631753;D90107;A805878;SR-01000310352;SR-01000310352-1;W-108370;1,5-dinitro-4,8-bis(oxidanyl)anthracene-9,10-dione;1,5-dihydroxy-4,8-dinitro-9,10-dihydroanthracene-9,10-dione

Chemical Property of 1,5-Dihydroxy-4,8-dinitroanthraquinone

Chemical Property:

• Vapor Pressure: 1.57E-18mmHg at 25°C
• Melting Point: 186 °C
• Refractive Index: 1.782
• Boiling Point: 669.393 °C at 760 mmHg
• PKA: 3.39±0.20(Predicted)
• Flash Point: 280.819 °C
• PSA: 166.24000
• Density: 1.838 g/cm³
• LogP: 2.73600
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 330.01241515
• Heavy Atom Count: 24
• Complexity: 545

Purity/Quality:

98%min ^*data from raw suppliers

1,5-Dihydroxy-4,8-dinitroanthraquinone >96.0%(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)[N+](=O)[O-])O)O
• Uses: 1,5-Dihydroxy-4, 8-dinitroanthraquinone is an important dye precursor for CI Disperse Blue 56, hydrolysis with aqueous alkali. 1,5-Dinitro-4,8-dihydroxyanthraquinone is also prepared from dimethoxyanthraquinone. High purity of 1,5-dimethoxyanthraquinone is required for manufacturing disperse blue dyes.

Technology Process of 1,5-Dihydroxy-4,8-dinitroanthraquinone

There total 2 articles about 1,5-Dihydroxy-4,8-dinitroanthraquinone 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) → 1,5-dihydroxy-4,8-dinitro-anthraquinone (128-91-6)

Guidance literature:

With sulfuric acid; nitric acid; at 10 - 15 ℃;

Reference yield:

→ 1,5-dihydroxy-4,8-dinitro-anthraquinone (128-91-6)

Guidance literature:

With sulfuric acid; at 70 - 75 ℃; Nitrieren die Sulfonsaeure mit Salpeterschwefelsaeure bei 10-15grad und Verseifen mit Alkalien;

Reference yield: 97.8%

1,5-dihydroxy-4,8-dinitro-anthraquinone (128-91-6) → 4,8-diamino-1,5-dihydroxyanthraquinone (145-49-3)

Guidance literature:

With sodium hydroxide; palladium-carbon; In hydrogen;

upstream raw materials:

1,5-dihydroxyanthraquinone

Downstream raw materials:

4,8-Diamino-1,5-dihydroxy-2-(4-pentyloxy-phenyl)-anthraquinone

4,8-Diamino-1,5-dihydroxy-2-(4-propoxy-phenyl)-anthraquinone

4,8-Diamino-2-(4-butoxy-phenyl)-1,5-dihydroxy-anthraquinone

4,8-Diamino-2-(4-hexyloxy-phenyl)-1,5-dihydroxy-anthraquinone