6-Hydroxy-2-phenyl-4-benzopyron

6-Hydroxyflavone

HCID 72279CAS 6665-83-4

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Grundinformationen

Standard-SMILES: O=c1cc(-c2ccccc2)oc2ccc(O)cc12
InChIKey: GPZYYYGYCRFPBU-UHFFFAOYSA-N
Summenformel: C15H10O3
Durchschnittliche Molmasse: 238,24 g/mol
Monoisotopische Masse: 238,06299418

Namen und Bezeichner

Bevorzugter Name: 6-Hydroxyflavone
IUPAC: 6-hydroxy-2-phenylchromen-4-one
Lokaler Name: 6-Hydroxy-2-phenyl-4-benzopyron
Englischer Name: 6-Hydroxyflavone
Summenformel: C15H10O3
Molmasse: 238.24

Namen und Synonyme

6-Hydroxyflavone6665-83-46-hydroxy-2-phenylchromen-4-one6-Hydroxy-2-phenyl-4-benzopyroneNSC-26744148S6Z78H6DTXSID8022327RefChem:543430DTXCID202327229-704-86-Hydroxy-2-phenyl-4H-chromen-4-one6-Monohydroxyflavone

Weitere Namen anzeigen

6-HF6-hydroxyoneHYDROXYFLAVONE, 6-TIMTEC-BB SBB0007666-Hydroxyflavone>6-Hydroxyflavone 98%6-Hydroxyflavone,98%6-Hydroxyflavone,97%

6-Hydroxy-2-phenyl-chromen-4-oneMLS0007380654H-1-Benzopyran-4-one, 6-hydroxy-2-phenyl-MFCD00017329CHEMBL138649NSC26744EINECS 229-704-8NSC 26744

Datenbank-Bezeichner

CAS: 6665-83-4
PubChem CID: 72279
DTXSID: DTXSID8022327
ChEMBL: CHEMBL138649
ChEBI: CHEBI:34472
UNII: 148S6Z78H6
EC Number: 229-704-8
Nikkaji: J298.052E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 355

Physikochemische Eigenschaften

Schmelzpunkt: 234 · 234-236 °C (lit.)
Siedepunkt: 320.83 °C · 320.83°C (rough estimate)
Dichte: 1.2653 · 1.2653 (rough estimate)
Brechungsindex: 1.574 · 1.5740 (estimate)
pka: 8.98 · 8.98±0.40(Predicted)
Aggregatzustand: powder to crystal
Farbe: Light yellow to Yellow to Green
BRN: 15827 · 15827
InChI: 1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H
InChIKey: GPZYYYGYCRFPBU-UHFFFAOYSA-N
SMILES: Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3
LogP: 4.445 · 4.445 (est)
CAS Datenbank: 6665 · 6665-83-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Sicherheitsdaten

wgk: 3
hs_code: 2932.99.7000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites6-Hydroxyflavone has known human metabolites that include (2S,3S,4S,5R)-3,4,5-trihydroxy-6-(4-oxo-2-phenylchromen-6-yl)oxyoxane-2-carboxylic acid.