1,8-Dichloranthrachinon

1,8-Dichloroanthraquinone

HCID 6708CAS 82-43-9

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Grundinformationen

Standard-SMILES: O=C1c2cccc(Cl)c2C(=O)c2c(Cl)cccc21
InChIKey: VBQNYYXVDQUKIU-UHFFFAOYSA-N
Summenformel: C14H6Cl2O2
Durchschnittliche Molmasse: 277,1 g/mol
Monoisotopische Masse: 275,97448479

Namen und Bezeichner

Bevorzugter Name: 1,8-Dichloroanthraquinone
IUPAC: 1,8-dichloroanthracene-9,10-dione
Lokaler Name: 1,8-Dichloranthrachinon
Englischer Name: 1,8-Dichloroanthraquinone
Summenformel: C14H6Cl2O2
Molmasse: 277.1

Namen und Synonyme

1,8-Dichloroanthraquinone9,10-Anthracenedione, 1,8-dichloro-EINECS 201-420-9BRN 1979205AI3-38302NSC 7209Anthraquinone, 1,8-dichloroDTXSID80588734-07-00-02560 (Beilstein Handbook Reference)1,8DichloranthrachinonRefChem:73741Anthraquinone, 1,8dichloro

Weitere Namen anzeigen

1,8-DichLoroanthraquinone1,8-dichloro-anthraquinon1,8-Dichloroanthraquinone,97%1,8-Dichloroanthraquinone,96%1,8-Dichloroanthraquinone >1,8-Dichloroanthra-9,10-quinone1,8-Dichloro-9,10-anthraquinone

1,8Dichloro9,10anthraquinoneDTXCID60482509,10Anthracenedione, 1,8dichloro201-420-9VBQNYYXVDQUKIU-UHFFFAOYSA-N82-43-91,8-dichloroanthracene-9,10-dione1,8-Dichloranthrachinon

Datenbank-Bezeichner

CAS: 82-43-9
PubChem CID: 6708
DTXSID: DTXSID8058873
UNII: HNW5L47GP6
EC Number: 201-420-9
Nikkaji: J53.414E

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: 350

Experimentelle und physikochemische Eigenschaften

Chemical ClassesDyes -> Anthraquinone Dyes

SpringerMaterials PropertiesCrystal structure

Physical DescriptionPowder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 201.5 · 201.5-203 °C (lit.)
Siedepunkt: 387.84 °C · 387.84°C (rough estimate)
Dichte: 1.324 · 1.3240 (rough estimate)
Dampfdruck: 0 · 0-0Pa at 25℃
Brechungsindex: 1.473 · 1.4730 (estimate)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: Solid:particulate/powder
Farbe: White to Green to Brown
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C14H6Cl2O2/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6H
InChIKey: VBQNYYXVDQUKIU-UHFFFAOYSA-N
SMILES: C1(Cl)=C2C(C(=O)C3=C(C2=O)C(Cl)=CC=C3)=CC=C1
LogP: 4.63 · 4.63
CAS Datenbank: 82 · 82-43-9(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,8-Dichloroanthraquinone (82-43-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 27.3% (3 of 11) of reports.

Warning

H315 (18.2%): 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 11 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 20-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22982

Hazards SummaryA mild eye irritant; [RTECS] An eye irritant; [Alfa Aesar MSDS] See 1-Amino-5-chloroanthraquinone.

Hazard Classes and CategoriesSkin Irrit. 2 (18.2%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 2914790090
RTECS-Nr.: CB6496000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information9,10-Anthracenedione, 1,8-dichloro-: ACTIVE

Anwendungen

Verwenden1,8-Dichloroanthraquinone is a reagent in the preparation of anthraquinones, which has antitumor activities. It is used as primary and secondary intermediate.