ChemicalBook--->CAS DataBase List--->525-82-6

525-82-6

525-82-6 Structure

525-82-6 Structure
IdentificationMore
[Name]

FLAVONE
[CAS]

525-82-6
[Synonyms]

2-PHENYL-4H-1-BENZOPYRAN-4-ONE
2-PHENYL-4H-CHROMEN-4-ONE
2-PHENYLCHROME
2-PHENYLCHROMONE
FLAVONE
2-Phenyl-4-chromone
2-phenyl-4h-1-benzopyran-4-on
2-Phenyl-4H-benzopyran-4-one
2-Phenylbenzopyran-4-one
2-Phenyl-gamma-benzopyrone
2-Phenyl-γ-benzopyrone
4H-1-Benzopyran-4-one, 2-phenyl-
4H-1-Benzopyran-4-one,2-phenyl-
Asmacoril
Chromocor
Cromaril
DA6034
Flavon
Phenylchromone
Flavone(2-Phenylchromone)
[EINECS(EC#)]

208-383-8
[Molecular Formula]

C15H10O2
[MDL Number]

MFCD00006825
[Molecular Weight]

222.24
[MOL File]

525-82-6.mol
Chemical PropertiesBack Directory
[Definition]

One of a group of flavonoid plant pigments existing as colorless needles, that are insoluble in water and melting at 100C. It fluoresces violet in concentrated sulfuric acid. It can be synthesized. Treatment with alcoholic alkali yields flavanone. The fla
[Appearance]

white crystalline powder
[Melting point ]

94-97 °C (lit.)
[Boiling point ]

185 °C / 1mmHg
[density ]

1.1404 (rough estimate)
[refractive index ]

1.6600 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

>38.3 mg/mL in EtOH; >52.3 mg/mL in DMSO
[form ]

Crystalline Powder
[color ]

White
[Water Solubility ]

Soluble in acetone (25 mg/ml), methanol, alcohol, and chloroform. Insoluble in water.
[Merck ]

14,4092
[BRN ]

157598
[InChI]

InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
[InChIKey]

VHBFFQKBGNRLFZ-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=CC=C2)OC2=CC=CC=C2C(=O)C=1
[LogP]

3.560
[CAS DataBase Reference]

525-82-6(CAS DataBase Reference)
[EPA Substance Registry System]

Flavone (525-82-6)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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 .
S36:Wear suitable protective clothing .
[WGK Germany ]

2
[RTECS ]

DJ3100630
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

29329990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzenemethanol, 2-hydroxy-α-(2-phenylethynyl)--->2-Propyn-1-one, 1-[2-(acetyloxy)phenyl]-3-phenyl--->2-Propyn-1-one, 1-(2-hydroxyphenyl)-3-phenyl--->3-METHOXYFLAVONE-->(E)-2'-hydroxychalcone-->Phenylacetylene-->Methanol-->carbon monoxide
[Preparation Products]

CACAO PIGMENT-->BETA-PHENYLPROPIOPHENONE-->monopotassium and tripotassium glycyrrhi-mate-->α-Naphthoflavone-->Enzymaticallv modified rutin-->1-(2-HYDROXYPHENYL)-3-PHENYL-1,3-PROPANEDIONE-->5-HYDROXYFLAVONE-->CHROMONE
Hazard InformationBack Directory
[Chemical Properties]

white crystalline powder
[Uses]

Flavone is a potentially useful biochemical for cytochrome P450 studies.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 79, p. 689, 1957 DOI: 10.1021/ja01560a050
The Journal of Organic Chemistry, 44, p. 497, 1979 DOI: 10.1021/jo01318a005
Tetrahedron Letters, 31, p. 4073, 1990 DOI: 10.1016/S0040-4039(00)94503-9
[Purification Methods]

Dissolve it in dilute aqueous NaOH, filter and precipitate it by adding dilute (1:1) HCl. The process is repeated twice more, and the fluorescein is dried at 100o. Alternatively, it has been crystallised from acetone by allowing the solution to evaporate at 37o in an open beaker. It has also been recrystallised from EtOH and dried in a vacuum oven. [Beilstein 19 I 721, 19 II 248, 19 III/IV 2904, 19/8 V 456.]
Spectrum DetailBack Directory
[Spectrum Detail]

FLAVONE(525-82-6)MS
FLAVONE(525-82-6)1HNMR
FLAVONE(525-82-6)IR1
FLAVONE(525-82-6)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Flavone, 99+%(525-82-6)
[Alfa Aesar]

Flavone, 99%(525-82-6)
[Sigma Aldrich]

525-82-6(sigmaaldrich)
[TCI AMERICA]

Flavone,>98.0%(GC)(525-82-6)
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