2,3-Dihydro-1,4,5,8-tetrahydroxyanthrachinon

9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-

HCID 66485CAS 81-59-4

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Grundinformationen

Standard-SMILES: O=C1CCC(=O)c2c1c(O)c1c(O)ccc(O)c1c2O
InChIKey: QJQPINQAQJTYMH-UHFFFAOYSA-N
Summenformel: C14H10O6
Durchschnittliche Molmasse: 274,22 g/mol
Monoisotopische Masse: 274,04773803

Namen und Bezeichner

Bevorzugter Name: 9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-
IUPAC: 5,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione
Lokaler Name: 2,3-Dihydro-1,4,5,8-tetrahydroxyanthrachinon
Englischer Name: 2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone
Summenformel: C14H10O6
Molmasse: 274.23

Namen und Synonyme

81-59-42,3-dihydro-1,4,5,8-tetrahydroxy-9,10-anthracenedione9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-EINECS 201-364-5NSC 23122DTXSID00588511,4,5,8-Tetrahydroxyanthraquinone, leucoderivative1,4,5,8-Tetrahydroxyanthraquinone, leuco derivative9,10-Athracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-RefChem:548710DTXCID90481985,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione

Weitere Namen anzeigen

Mitoxantrone Impurity 3Mitoxantrone Impurity 72,3-Dihydro-1,4,5,8-tetrahydroxyanthrachinon2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone

1,4,5,8-TETRAHYDROXY-2,3-DIHYDROANTHRACENE-9,10-DIONE5,8-DihydroxyleucoquinizarinMFCD231600181,4,5,8-tetrahydroxy-2,3,9,10-tetrahydroanthracene-9,10-dione1,4,5,8-Tetrahydroxy-2,3-dihydro-9,10-anthracenedione; NSC 23122NSC23122Mitoxantrone Impurity N1Leucotetrahydroxyanthraquinone

Datenbank-Bezeichner

CAS: 81-59-4
PubChem CID: 66485
EC Number: 201-364-5
Nikkaji: J192.589J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 115 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 20
Formalladung: 0
Komplexität: 395

Physikochemische Eigenschaften

Siedepunkt: 543.8 · 543.8±50.0 °C(Predicted)
Dichte: 1.79 · 1.79±0.1 g/cm3(Predicted)
storage temp.: Refrigerator
Löslichkeit: DMSO (Very Slightly, Heated)
pka: 4.2 · 4.20±1.00(Predicted)
Aggregatzustand: Solid
Farbe: Dark Brown to Black
EPA chemische Informationen: 9 · 9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy- (81-59-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information9,10-Anthracenedione, 2,3-dihydro-1,4,5,8-tetrahydroxy-: INACTIVE

Anwendungen

Verwenden5,8-Dihydroxyleucoquinizarin is a reactant used in the preparation of chloroethylaminoethylaminoanthraquinones with potent cytotoxicity against cisplatin-resistant tumor cells.