2,6-Dihydroxyanthrachinon
2,6-Dihydroxyanthraquinone
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Grundinformationen
- CAS
84-60-6- Standard-SMILES
O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21- InChIKey
APAJFZPFBHMFQR-UHFFFAOYSA-N- Summenformel
- C14H8O4
- Durchschnittliche Molmasse
- 240,21 g/mol
- Monoisotopische Masse
- 240,04225874
Überblick
Anthraflavic acid is a dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10. It has a role as an antimutagen and a plant metabolite. It derives from a hydride of an anthracene.
Namen und Bezeichner
- Bevorzugter Name
- 2,6-Dihydroxyanthraquinone
- IUPAC
- 2,6-dihydroxyanthracene-9,10-dione
- Lokaler Name
- 2,6-Dihydroxyanthrachinon
- Englischer Name
- 2,6-DIHYDROXYANTHRAQUINONE
- Summenformel
- C14H8O4
- Molmasse
- 240.21
Namen und Synonyme
2,6-DihydroxyanthraquinoneAnthraflavic acid84-60-62,6-dihydroxyanthracene-9,10-dioneAnthraflavin9,10-Anthracenedione, 2,6-dihydroxy-NSC-335312,6-dihydroxy-9,10-anthraquinoneAnthraquinone, 2,6-dihydroxy-2,6-dihydroxy-9,10-anthracenedioneCHEBI:34250W83883330W
Weitere Namen anzeigen
2,6-dihydroxy-anthraquinon2,6-DHAQanthraflavicaciAnthraflaric acidAnthraflavic Acid >
RefChem:445580201-544-32,6-Dihydroxyanthra-9,10-quinoneAz-FAnthrafravic acid2,6-DIHYDROXY-ANTHRAQUINONEMFCD000012282,6-dihydroxy-9,10-dihydroanthracene-9,10-dione
Datenbank-Bezeichner
- CAS
84-60-6- PubChem CID
- 6776
- DTXSID
DTXSID6036546- ChEMBL
CHEMBL298398- ChEBI
CHEBI:34250- UNII
- W83883330W
- EC Number
- 201-544-3
- Nikkaji
- J55.275E
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,2
- 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
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 320 °C · >320 °C(lit.)
- Siedepunkt
- 342.92 °C · 342.92°C (rough estimate)
- Dichte
- 1.3032 · 1.3032 (rough estimate)
- Brechungsindex
- 1.543 · 1.5430 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Soluble in DMSO
- Aggregatzustand
- powder to crystal
- pka
- 6.72 · 6.72±0.20(Predicted)
- Farbe
- Light yellow to Brown to Dark green
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- InChI
- 1S/C14H8O4/c15-7-1-3-9-11(5-7)14(18)10-4-2-8(16)6-12(10)13(9)17/h1-6,15-16H
- InChIKey
- APAJFZPFBHMFQR-UHFFFAOYSA-N
- SMILES
- Oc1ccc2C(=O)c3cc(O)ccc3C(=O)c2c1
- LogP
- 3.36 · 3.360 (est)
- CAS Datenbank
- 84 · 84-60-6(CAS DataBase Reference)
- EPA chemische Informationen
- 9 · 9,10-Anthracenedione, 2,6-dihydroxy- (84-60-6)
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 (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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: 9,10-Anthracenedione, 2,6-dihydroxy-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29146990
- RTECS-Nr.
- CB6675000
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-37/39-36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information9,10-Anthracenedione, 2,6-dihydroxy-: ACTIVE
Anwendungen
VerwendenAnthraflavic acid can be used as a starting material to synthesize tetrahydroxy tetrathiafulvalene (TTF) derivatives, which are used as redox-active building blocks in supramolecular and materials science. It is also utilized to prepare phosphanylidene anthra[2,1-b]furans by reacting with dialkyl acetylenedicarboxylates and triphenylphosphine.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: A dihydroxyanthraquinone that is anthracene substituted by hydroxy groups at C-3 and C-7 and oxo groups at C-9 and C-10.
Zugehörige Reaktionen
19
Notizen zur Verbindung
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