Basic information Safety Supplier Related
ChemicalBook >  Product Catalog >  Chemical Reagents >  Organic reagents >  Tricyclic compound >  1,8-Dihydroxy-4,5-dinitroanthraquinone

1,8-Dihydroxy-4,5-dinitroanthraquinone

Basic information Safety Supplier Related

1,8-Dihydroxy-4,5-dinitroanthraquinone Basic information

Product Name:
1,8-Dihydroxy-4,5-dinitroanthraquinone
Synonyms:
  • 4,5 DINITROCHRYSAZINE
  • 1,8-DINITRO-4,5-DIHYDROXYANTHRAQUINONE
  • 1,8-DIHYDROXY-4,5-DINITRO-9,10-ANTHRAQUINONE
  • 1,8-DIHYDROXY-4,5-DINITROANTHRACENE-9,10-DIONE
  • 1,8-DIHYDROXY-4,5-DINITROANTHRAQUINONE
  • 1,8 DIHYDROXY 4,5 DINITRO AQ
  • TIMTEC-BB SBB006491
  • 4,5’-Dinitrocyrazine
CAS:
81-55-0
MF:
C14H6N2O8
MW:
330.21
EINECS:
201-360-3
Product Categories:
  • Intermediates of Dyes and Pigments
  • Anthraquinones, Hydroquinones and Quinones
  • Anthraquinones
  • Hydroxyanthraquinones
  • C13 to C14
  • Carbonyl Compounds
  • Ketones
Mol File:
81-55-0.mol
More
Less

1,8-Dihydroxy-4,5-dinitroanthraquinone Chemical Properties

Melting point:
225 °C (dec.) (lit.)
Boiling point:
467.67°C (rough estimate)
Density 
1.4944 (rough estimate)
refractive index 
1.5910 (estimate)
storage temp. 
-20°C Freezer
solubility 
Dichloromethane (Very Slightly, Heated, Sonicated), DMSO (Slightly)
form 
Solid
pka
3.45±0.20(Predicted)
color 
Brown
Stability:
Stable. Incompatible with strong oxidizing agents.
InChI
InChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H
InChIKey
GJCHQJDEYFYWER-UHFFFAOYSA-N
SMILES
C1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC=C3[N+]([O-])=O)=C([N+]([O-])=O)C=C1
CAS DataBase Reference
81-55-0(CAS DataBase Reference)
NIST Chemistry Reference
Anthraquinone, 1,8-dihydroxy-4,5-dinitro-,(81-55-0)
EPA Substance Registry System
1,8-Dihydroxy-4,5-dinitroanthraquinone (81-55-0)
More
Less

Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
WGK Germany 
3
RTECS 
CB6700000
TSCA 
Yes
HS Code 
29147000

MSDS

More
Less

1,8-Dihydroxy-4,5-dinitroanthraquinone Usage And Synthesis

Chemical Properties

brownish-gold solid

Uses

1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione is a NS2B-NS3 protease specific inhibitor that is used for treatment of Dengue and West Nile virus infections.

General Description

Brownish gold solid.

Air & Water Reactions

The neat (pure) material is sensitive to air and may be sensitive to light. . Insoluble in water.

Reactivity Profile

A nitrated alcohol and a ketone. Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides. Ketones are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.

Fire Hazard

Flash point data for 1,8-Dihydroxy-4,5-dinitroanthraquinone are not available, however, 1,8-Dihydroxy-4,5-dinitroanthraquinone is probably combustible.

Synthesis

1,8-Dihydroxy-4,5-dinitroanthraquinone is prepared from 1,8-diphenoxyanthraquinone by nitration followed by alkaline hydrolysis or, alternatively, by nitration of 1,8-dihydroxyanthraquinone in oleum in the presence of boric acid and isolation after the sulfuric acid concentration has been adjusted to 80 – 100 % or, using the same procedure, from 1,8-dimethoxyanthraquinone followed by ether cleavage.

1,8-Dihydroxy-4,5-dinitroanthraquinoneSupplier

J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Email
jkinfo@jkchemical.com
Meryer (Shanghai) Chemical Technology Co., Ltd.
Tel
021-61259108 18621169109
Email
market03@meryer.com
Alfa Aesar
Tel
400-6106006
Email
saleschina@alfa-asia.com
TCI (Shanghai) Development Co., Ltd.
Tel
021-67121386
Email
Sales-CN@TCIchemicals.com
Energy Chemical
Tel
021-021-58432009 400-005-6266
Email
sales8178@energy-chemical.com