7-Hydroxyflavanone

HCID 1890

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Grundinformationen

CAS: 6515-36-2
Standard-SMILES: O=C1CC(c2ccccc2)Oc2cc(O)ccc21
InChIKey: SWAJPHCXKPCPQZ-UHFFFAOYSA-N
Summenformel: C15H12O3
Durchschnittliche Molmasse: 240,25 g/mol
Monoisotopische Masse: 240,07864424

Überblick

7-hydroxyflavanone is a monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 7.

Namen und Bezeichner

Bevorzugter Name: 7-Hydroxyflavanone
IUPAC: 7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
Englischer Name: 7-Hydroxyflavanone
Summenformel: C15H12O3
Molmasse: 240.25

Namen und Synonyme

7-Hydroxyflavanone6515-36-27-hydroxy-2-phenyl-2,3-dihydrochromen-4-oneDTXSID00224302,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-phenyl-CC64495H41J502.873FCHEBI:34483RefChem:546584DTXCID902430624-686-1

Weitere Namen anzeigen

7-HydroxyflavnoneHYDROXYFLAVANONE, 7-7-Hydroxyflavanone>7-Hydroxyflavanone,98%7-HYDROXYFLAVANONE 98%HYDROXYFLAVANONE, 7-(RG)7-Hydroxyflavanone, ≥ 98.0%7-Hydroxyflavanone, 10 mM in DMSO

7-Hydroxy-2-phenylchroman-4-oneMFCD000174877-hydroxy-2-phenyl-4-chromanone2H-1-Benzopyran-7-yloxyCHEMBL975427-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one7-hydroxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-oneUNII-CC64495H41

Datenbank-Bezeichner

CAS: 6515-36-2
PubChem CID: 1890
DTXSID: DTXSID0022430
ChEMBL: CHEMBL97542
ChEBI: CHEBI:34483
UNII: CC64495H41
EC Number: 624-686-1
Nikkaji: J502.873F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 309

Experimentelle und physikochemische Eigenschaften

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]

Physikochemische Eigenschaften

Schmelzpunkt: 188 · 188-190 °C (lit.)
Siedepunkt: 464.3 · 464.3±45.0 °C(Predicted)
Dichte: 1.288 · 1.288±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
Aggregatzustand: Crystalline Powder
pka: 7.69 · 7.69±0.40(Predicted)
Farbe: Pale yellow
BRN: 87355 · 87355
InChI: 1S/C15H12O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-8,14,16H,9H2
InChIKey: SWAJPHCXKPCPQZ-UHFFFAOYSA-N
SMILES: Oc1ccc2C(=O)CC(Oc2c1)c3ccccc3
LogP: 3.49 · 3.490 (est)
CAS Datenbank: 6515 · 6515-36-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29329900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites7-Hydroxyflavanone has known human metabolites that include Flavanone 7-O-glucuronide.

Anwendungen

Verwenden7-Hydroxyflavanone has been used for the stereoisomeric separation of flavonoids using polysaccharide-based chiral stationary phases by nano-liquid chromatography (nano-LC).