1,4,5,8-Tetrachloranthrachinon

1,4,5,8-tetrachloro-9,10-Anthracenedione · 1,4,5,8-tetrachloroanthracene-9,10-dione · TCAQ · 8-Tetrachloroanthraquinone · 1,4,5,8-TETRACHLOROANTHRAQUINONE · 1,4,5,8-tetrachloro-9,10-anthraquinone · 1,4,5,8-tetrachloro-10-anthracenedione · TCAQ - 1,4,5,8-tetrachloroanthraquinone

https://huagongshe.com/de/chemical/66484

Molekülstruktur von 1,4,5,8-Tetrachloranthrachinon

Identifikatoren & physikalische Daten

CAS No.	81-58-3
Summenformel	C14H4Cl4O2
Durchschnittliche Molmasse	346 g/mol
Monoisotopische Masse	343,89654009 g/mol
SMILES	O=C1c2c(Cl)ccc(Cl)c2C(=O)c2c(Cl)ccc(Cl)c21
InChIKey	DUJPMUKIEFLXRE-UHFFFAOYSA-N
PubChem CID	66484
EC No.	201-362-4
DTXSID	DTXSID5058850
Lokaler Name	1,4,5,8-Tetrachloranthrachinon

Chemische & physikalische Eigenschaften

XLogP	5,4
Polarare Oberfläche (TPSA)	34,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	0
Schwere Atome	20
Formalladung	0
Komplexität	365
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	342°C(lit.)
Siedepunkt	510.7±50.0 °C(Predicted)
Dichte	1.672±0.06 g/cm3(Predicted)
Lagerbedingungen	-20°C Freezer, Under inert atmosphere
Löslichkeit	Chloroform (Slightly, Heated), DMSO (Slightly, Heated), Pyridine (Slightly, Heat
Aggregatzustand	Solid
Farbe	Pale Yellow to Light Yellow
InChI	InChI=1S/C14H4Cl4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H
InChIKey	DUJPMUKIEFLXRE-UHFFFAOYSA-N
SMILES	C1(Cl)=C2C(C(=O)C3=C(C2=O)C(Cl)=CC=C3Cl)=C(Cl)C=C1
CAS Datenbank	81-58-3(CAS DataBase Reference)
EPA chemische Informationen	9,10-Anthracenedione, 1,4,5,8-tetrachloro- (81-58-3)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
TSCA-Inventar-Status	TSCA listed
Zollcode	2914.79.3000

Anwendungen & Verwendung

Verwenden

1,4,5,8-Tetrachloroanthraquinone is an intermediate used to prepare trianthrimides as potential high-performance pigments. It can also be used to synthesize γ-aminobutyric acid analogs as novel potent GABA-AT (γ-aminobutyrate aminotransferase) inhibitors.