4'-Bromoflavone
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Basic information
- CAS
20525-20-6- Standard SMILES
O=c1cc(-c2ccc(Br)cc2)oc2ccccc12- InChIKey
URZUAHXELZUWFE-UHFFFAOYSA-N- Molecular formula
- C15H9BrO2
- Average molar mass
- 301.13 g/mol
- Monoisotopic mass
- 299.97859
Overview
4'-bromoflavone has been reported in Bruguiera gymnorhiza and Nocardiopsis with data available.
Names & identifiers
- Preferred name
- 4'-Bromoflavone
- IUPAC
- 2-(4-bromophenyl)chromen-4-one
- English name
- 4'-BROMOFLAVONE
- Molecular formula
- C15H9BrO2
- Molecular weight
- 301.13
Names & synonyms
4'-bromoflavone20525-20-62-(4-bromophenyl)chromen-4-one2-(4-Bromophenyl)-4H-1-benzopyran-4-one4-Bromoflavone6TC8H54C8TRefChem:9117292-(4-Bromophenyl)-4H-chromen-4-one4'-Bromo-flavone4H-1-Benzopyran-4-one, 2-(4-bromophenyl)-Flavone, 4'-bromo-4 inverted exclamation marka-Bromoflavone
Show more names
4'BF4a€-Bromoflavone4′-Bromoflavone, CAS 20525-20-6
SCHEMBL103839DTXSID60174519BIM-0039592.P001HY-115772CS-02556192-(4-Bromophenyl)-4H-chromen-4-one (3n)A734H-1-Benzopyran-4-one,2-(4-bromophenyl)-
Database identifiers
- CAS
20525-20-6- PubChem CID
- 1686
- DTXSID
DTXSID60174519- ChEMBL
CHEMBL294099- UNII
- 6TC8H54C8T
- Nikkaji
- J674.963A
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 174 · 174-176°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly, Sonicated)
- form
- Solid
- color
- White
- CAS DataBase Reference
- 20525 · 20525-20-6
- FDA UNII
- 6 TC8H54C8T · 6TC8H54C8T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses4'-Bromoflavone is a 4'-Bromoflavone aryl hydrocarbon hydroxylase inducer,it is used as a phase II detoxifying enzymes, quninone reductase and glutathione S-transferase in cell culture and in different tissues of rats.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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