1,5-Dichloranthrachinon

1,5-Dichloroanthraquinone

HCID 6711CAS 82-46-2

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Grundinformationen

Standard-SMILES: O=C1c2cccc(Cl)c2C(=O)c2cccc(Cl)c21
InChIKey: MQIUMARJCOGCIM-UHFFFAOYSA-N
Summenformel: C14H6Cl2O2
Durchschnittliche Molmasse: 277,1 g/mol
Monoisotopische Masse: 275,9744848

Namen und Bezeichner

Bevorzugter Name: 1,5-Dichloroanthraquinone
IUPAC: 1,5-dichloroanthracene-9,10-dione
Lokaler Name: 1,5-Dichloranthrachinon
Englischer Name: 1,5-DICHLOROANTHRAQUINONE
Summenformel: C14H6Cl2O2
Molmasse: 277.1

Namen und Synonyme

1,5-Dichloroanthraquinone82-46-29,10-Anthracenedione, 1,5-dichloro-1,5-Dichloro-9,10-anthraquinoneANTHRAQUINONE, 1,5-DICHLORO-S335V6MF9ENSC-13969DTXSID3058874RefChem:73465DTXCID1048251201-424-01,5-dichloroanthracene-9,10-dione

Weitere Namen anzeigen

1,5 DICHLORO AQTIMTEC-BB SBB0011105-Dichloroanthraquinone1,5-dichloro-anthraquinon

1,5-Dichloranthrachinon1,5-dichloro-9,10-anthracenedioneMFCD000011901, 5-Dichloroanthraquinone1,5-Dichloroanthra-9,10-quinone1,5-Dichloranthrachinon [Czech]EINECS 201-424-0NSC 13969

Datenbank-Bezeichner

CAS: 82-46-2
PubChem CID: 6711
DTXSID: DTXSID3058874
UNII: S335V6MF9E
EC Number: 201-424-0
Nikkaji: J52.235J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,1
Polarare Oberfläche (TPSA): 34,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 18
Formalladung: 0
Komplexität: 346

Physikochemische Eigenschaften

Schmelzpunkt: 245 · 245-247 °C (lit.)
Siedepunkt: 387.84 °C · 387.84°C (rough estimate)
Dichte: 1.324 · 1.3240 (rough estimate)
Brechungsindex: 1.473 · 1.4730 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Sparingly, Heated, Sonicated), Ethyl Acetate (Slightly, Heated, Sonicated)
Aggregatzustand: Solid
Farbe: Light Yellow to Yellow
Wasserlöslichkeit: Insoluble in water.
BRN: 402592 · 402592
InChI: InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6H
InChIKey: MQIUMARJCOGCIM-UHFFFAOYSA-N
SMILES: C1(Cl)=C2C(C(=O)C3=C(C2=O)C=CC=C3Cl)=CC=C1
CAS Datenbank: 82 · 82-46-2(CAS DataBase Reference)
EPA chemische Informationen: 9 · 9,10-Anthracenedione, 1,5-dichloro- (82-46-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.