Grundinformationen
- Standard-SMILES
O=c1ccoc2cc(O)ccc12- InChIKey
WVJCRTSTRGRJJT-UHFFFAOYSA-N- Summenformel
- C9H6O3
- Durchschnittliche Molmasse
- 162,14 g/mol
- Monoisotopische Masse
- 162,03169405
Überblick
7-Hydroxy-4-chromone is a member of chromones.
Namen und Bezeichner
- Bevorzugter Name
- 7-Hydroxy-4-benzopyrone
- IUPAC
- 7-hydroxychromen-4-one
- Lokaler Name
- 7-Hydroxy-4-benzopyron
- Englischer Name
- 7-hydroxy-4-benzopyrone
- Summenformel
- C9H6O3
- Molmasse
- 162.14
Namen und Synonyme
59887-89-77-hydroxychromen-4-one7-Hydroxy-4-benzopyrone7-HydroxychromoneEINECS 261-973-7DTXSID40208604RefChem:546565DTXCID50131095261-973-77-hydroxy-4H-chromen-4-one7-Hydroxy-4-chromoneMFCD00209371
Weitere Namen anzeigen
7-Hydroxy-4-chroMone 97%7-Hydroxybenzopyran-4-one7-hydroxy-1-benzopyran-4-one7-Hydroxy-4H-chromen-4-one, 10 mM in DMSO7-Hydroxy-4H-1-benzopyran-4-one, 7-Hydroxybenzopyran-4-one
7-Hydroxy-4H-1-benzopyran-4-one7-Hydroxy-chromen-4-one7-hydroxy-4H-4-chromenoneCHEMBL58827BDBM50077313SB22724CS-0034320F6170-0105
Datenbank-Bezeichner
- CAS
59887-89-7- PubChem CID
- 5409279
- DTXSID
DTXSID40208604- ChEMBL
CHEMBL58827- ChEBI
CHEBI:192676- EC Number
- 261-973-7
- Nikkaji
- J228.098A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 222
Experimentelle und physikochemische Eigenschaften
LogP1.44
Physikochemische Eigenschaften
- Schmelzpunkt
- 215 · 215-220 °C
- Siedepunkt
- 345.4 · 345.4±42.0 °C(Predicted)
- Dichte
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 150 mg/mL · DMSO : 150 mg/mL (925.13 mM)
- Aggregatzustand
- Solid
- pka
- 7.07 · 7.07±0.20(Predicted)
- Farbe
- Pink to red
- InChI
- 1S/C9H6O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5,10H
- InChIKey
- WVJCRTSTRGRJJT-UHFFFAOYSA-N
- SMILES
- Oc1ccc2C(=O)C=COc2c1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 2932990090
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 Oral
Chemie und Industrie
Pharmakologische Informationen
Metabolism/Metabolites7-Hydroxychromone has known human metabolites that include 7-Hydroxychromone, 7-hydroxy-glucuronide.
Anwendungen
Verwenden7-Hydroxy-4-chromone, is a 4-oxo-4H-1-benzopyran derivative which can inhibit Src kinase with an IC50 of <300 μM.
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