Anthrarufin
Grundinformationen
- CAS
117-12-4- Standard-SMILES
O=C1c2cccc(O)c2C(=O)c2cccc(O)c21- InChIKey
JPICKYUTICNNNJ-UHFFFAOYSA-N- Summenformel
- C14H8O4
- Durchschnittliche Molmasse
- 240,21 g/mol
- Monoisotopische Masse
- 240,04225873
Überblick
Anthrarufin is a dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 5. It derives from a hydride of an anthracene.
Namen und Bezeichner
- Bevorzugter Name
- Anthrarufin
- IUPAC
- 1,5-dihydroxyanthracene-9,10-dione
- Englischer Name
- 1,5-Dihydroxyanthraquinone
- Summenformel
- C14H8O4
- Molmasse
- 240.21
Namen und Synonyme
Anthrarufin1,5-DIHYDROXYANTHRAQUINONE117-12-41,5-dihydroxyanthracene-9,10-dione9,10-Anthracenedione, 1,5-dihydroxy-1,5-Dihydroxyanthrachinon1,5-Dihydroxy-9,10-anthraquinoneAnthraquinone, 1,5-dihydroxy-1,5-Dihydroxy-9,10-anthracenedioneCHEBI:37501KPB60W5S3MNSC-7211
Weitere Namen anzeigen
C14H8O4NSC 7211NSC 646570Anthrarufin,80%Anthrarufin 85%Anthrarufin >1,5 DIHYDROXY AQRARECHEM AQ BD AN24
NSC-646570DTXSID8051594RefChem:1130751,5-DHAQDTXCID90818191204-175-6Az-UCCRIS 3150
Datenbank-Bezeichner
- CAS
117-12-4- PubChem CID
- 8328
- DTXSID
DTXSID8051594- ChEMBL
CHEMBL55761- ChEBI
CHEBI:37501- UNII
- KPB60W5S3M
- EC Number
- 204-175-6
- Nikkaji
- J2.267.364E、J2.906H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 342
Experimentelle und physikochemische Eigenschaften
Chemical ClassesDyes -> Anthraquinone Dyes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physical DescriptionGreen to yellow solid; [Merck Index] Yellow powder; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 279 °C · 279 °C (dec.)(lit.)
- Siedepunkt
- 342.92 °C · 342.92°C (rough estimate)
- Dichte
- 1.56 g/cm3 · 1.56 g/cm3
- Dampfdichte
- 8.3 · 8.3 (vs air)
- Brechungsindex
- 1.543 · 1.5430 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Poor solubility in all solvents tested.DMSO (Sparingly)
- Aggregatzustand
- Solid
- pka
- 6.42 · 6.42±0.20(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: 9,10-Anthracenedione, 1,5-dihydroxy-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryA mild eye irritant; [RTECS] May cause irritation; [Alfa Aesar MSDS] See Alizarin.
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29146990
- RTECS-Nr.
- CB6630000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39-36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make alizarin and indanthrene dyes; Forms insoluble barium and calcium lakes; [Merck Index]
General Manufacturing Information9,10-Anthracenedione, 1,5-dihydroxy-: ACTIVE
Anwendungen
Verwenden1,5-Dihydroxyanthraquinone is an anthraquinone derivative with suppressive effects against nitric oxide (NO) synthase. Potential antimalarial agent. Used in studies as a potential competitive non-peptidic inhibitor of HIV-1 protei nase.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
7
Notizen zur Verbindung
Wird geladen…