1,8-Dihydroxy-4,5-dinitroanthrachinon

Bezeichnung:1,8-Dihydroxy-4,5-dinitroanthrachinon

CAS-Nr81-55-0

Englisch Name:1,8-Dihydroxy-4,5-dinitroanthraquinone

CBNumberCB0431673

SummenformelC14H6N2O8

Molgewicht330.21

MOL-Datei81-55-0.mol

Synonyma

1,8-Dihydroxy-4,5-dinitroanthrachinon

1,8-Dihydroxy-4,5-dinitroanthrachinon physikalisch-chemischer Eigenschaften

Schmelzpunkt	225 °C (dec.) (lit.)
Siedepunkt	467.67°C (rough estimate)
Dichte	1.4944 (rough estimate)
Brechungsindex	1.5910 (estimate)
storage temp.	-20°C Freezer
Löslichkeit	Dichloromethane (Very Slightly, Heated, Sonicated), DMSO (Slightly)
Aggregatzustand	Solid
pka	3.45±0.20(Predicted)
Farbe	Brown
Stabilität	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 Datenbank	81-55-0(CAS DataBase Reference)
NIST chemische Informationen	Anthraquinone, 1,8-dihydroxy-4,5-dinitro-,(81-55-0)
EPA chemische Informationen	1,8-Dihydroxy-4,5-dinitroanthraquinone (81-55-0)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	36/37/38
S-Sätze:	26-36
WGK Germany	3
RTECS-Nr.	CB6700000
TSCA	Yes
HS Code	29147000

Gefahreninformationscode (GHS)

1,8-Dihydroxy-4,5-dinitroanthraquinone Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
Chemische Eigenschaften
brownish-gold solid
Verwenden
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.
Allgemeine Beschreibung
Brownish gold solid.
Air & Water Reaktionen
The neat (pure) material is sensitive to air and may be sensitive to light. . Insoluble in water.
Reaktivität anzeigen
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.
Brandgefahr
Flash point data for 1,8-Dihydroxy-4,5-dinitroanthraquinone are not available, however, 1,8-Dihydroxy-4,5-dinitroanthraquinone is probably combustible.
Synthese
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-dinitroanthrachinon Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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