3-Hydroxyflavon

4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-

HCID 11349CAS 577-85-5

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Grundinformationen

Standard-SMILES: O=c1c(O)c(-c2ccccc2)oc2ccccc12
InChIKey: HVQAJTFOCKOKIN-UHFFFAOYSA-N
Summenformel: C15H10O3
Durchschnittliche Molmasse: 238,242 g/mol
Monoisotopische Masse: 238,06299418

Namen und Bezeichner

Bevorzugter Name: 4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl-
IUPAC: 3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one
Lokaler Name: 3-Hydroxyflavon
Englischer Name: 3-Hydroxyflavone
Summenformel: C15H10O3
Molmasse: 238.24

Namen und Synonyme

FLAVONOL3-hydroxy-2-phenylchromen-4-one3-Hydroxy-2-phenyl-4H-chromen-4-one3-HF3-FLAVONOLFLAVON-3-OLAURORA 200583-hydroxy-flavon3-HydroxyflavoneHYDROXYFLAVONE, 3-

Datenbank-Bezeichner

CAS: 577-85-5
PubChem CID: 11349
DTXSID: DTXSID4060365
ChEMBL: CHEMBL294009
ChEBI: CHEBI:5078
UNII: ZTG9LSS5QH
EC Number: 209-416-9
Nikkaji: J1.628D、J3.804.376E、J630.345E

Eigenschaften

Physikochemische Eigenschaften

Schmelzpunkt: 171 · 171-172 °C (lit.)
Siedepunkt: 320.83 °C · 320.83°C (rough estimate)
Dichte: 1.2653 · 1.2653 (rough estimate)
Brechungsindex: 1.574 · 1.5740 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: 1 mg/ml · DMSO: 1 mg/ml
pka: 8.8 · 8.80±0.20(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Yellow to Green
Wasserlöslichkeit: Insoluble in water. Soluble in N,N-DMF and ethanol.
BRN: 15789 · 15789
InChI: 1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
InChIKey: HVQAJTFOCKOKIN-UHFFFAOYSA-N
SMILES: OC1=C(Oc2ccccc2C1=O)c3ccccc3
LogP: 3.477 · 3.477 (est)
CAS Datenbank: 577 · 577-85-5(CAS DataBase Reference)
EPA chemische Informationen: 4 H-1-Benzopyran-4-one, · 4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl- (577-85-5)

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29322090
RTECS-Nr.: LK8650000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 577-85-5(Hazardous Substances Data)
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Hydroxyflavone is a reactant involved in studies of photochemically-induced dioxygenase-type CO-release reactivity; phase-transfer protection and deprotection of hydroxychromones; and O-methylation with di-Me carbonate. As a reactant it is involved in the synthesis of biologically active molecules including 2-chloropyridine derivatives for studies of antitumor agents and telomerase inhibitors; dihydrochromenopyrazines and chromenoquinoxalines. It is also involved in studies of its electrochemical properties using voltammetric methodologies.