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ChemicalBook--->CAS DataBase List--->577-85-5

577-85-5

577-85-5 Structure

577-85-5 Structure
IdentificationMore
[Name]

3-HYDROXYFLAVONE
[CAS]

577-85-5
[Synonyms]

3-FLAVONOL
3-HF
3-HYDROXA-2-PHENYLCHROMONE
3-HYDROXY-2-PHENYLCHROMONE
3-HYDROXYFLAVONE
AURORA 20058
FLAVON-3-OL
FLAVONOL
HYDROXYFLAVONE, 3-
TIMTEC-BB SBB000767
3-hydroxy-2-phenyl-4h-1-benzopyran-4-on
3-Hydroxy-2-phenyl-4H-chromen-4-one
3-hydroxy-flavon
Flavone, 3-hydroxy-
3-Hydroxyflavone, 98+%
HYDROXYFLAVONE, 3-(RG)
3-Hydroxy-2-phenyl-4H-1-benzopyran-4-one
[EINECS(EC#)]

209-416-9
[Molecular Formula]

C15H10O3
[MDL Number]

MFCD00006832
[Molecular Weight]

238.24
[MOL File]

577-85-5.mol
Chemical PropertiesBack Directory
[Appearance]

yellow fluffy powder
[Melting point ]

171-172 °C (lit.)
[Boiling point ]

320.83°C (rough estimate)
[density ]

1.2653 (rough estimate)
[refractive index ]

1.5740 (estimate)
[storage temp. ]

0-6°C
[solubility ]

DMSO: 1 mg/ml
[form ]

powder to crystal
[pka]

8.80±0.20(Predicted)
[color ]

White to Yellow to Green
[Water Solubility ]

Insoluble in water. Soluble in N,N-DMF and ethanol.
[BRN ]

15789
[InChIKey]

HVQAJTFOCKOKIN-UHFFFAOYSA-N
[LogP]

3.477 (est)
[CAS DataBase Reference]

577-85-5(CAS DataBase Reference)
[EPA Substance Registry System]

4H-1-Benzopyran-4-one, 3-hydroxy-2-phenyl- (577-85-5)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[RTECS ]

LK8650000
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29322090
[Hazardous Substances Data]

577-85-5(Hazardous Substances Data)
Hazard InformationBack Directory
[Chemical Properties]

yellow fluffy powder
[Uses]

Reactant involved in:• ;Studies of photochemically-induced dioxygenase-type CO-release reactivity1• ;Phase-transfer protection and deprotection of hydroxychromones2• ;O-methylation with di-Me carbonate3Reactant involved in the synthesis of biologically active molecules including:• ;2-Chloropyridine derivatives for studies of antitumor agents and telomerase inhibitors4• ;Dihydrochromenopyrazines and chromenoquinoxalines5Involved in studies of its electrochemical properties using voltammetric methodologies6
[Definition]

ChEBI: A monohydroxyflavone that is the 3-hydroxy derivative of flavone.
[Synthesis Reference(s)]

Tetrahedron Letters, 25, p. 5561, 1984 DOI: 10.1016/S0040-4039(01)81626-9
[Purification Methods]

Recrystallise it from MeOH (m 169.5-170o), EtOH, aqueous EtOH (m 167o) or hexane. It has also been purified by repeated sublimation under high vacuum, and dried at high vacuum pumping for at least one hour [Bruker & Kelly J Phys Chem 91 2856 1987]. [Beilstein 17 H 527, 17 I 268, 17 II 498, 17 III/IV 6428.]
Spectrum DetailBack Directory
[Spectrum Detail]

3-HYDROXYFLAVONE(577-85-5)MS
3-HYDROXYFLAVONE(577-85-5)1HNMR
3-HYDROXYFLAVONE(577-85-5)13CNMR
3-HYDROXYFLAVONE(577-85-5)IR1
3-HYDROXYFLAVONE(577-85-5)IR2
3-HYDROXYFLAVONE(577-85-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-Hydroxyflavone, 98+%(577-85-5)
[Sigma Aldrich]

577-85-5(sigmaaldrich)
[TCI AMERICA]

3-Hydroxyflavone,>98.0%(T)(577-85-5)
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