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328956-08-7

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328956-08-7 Structure

328956-08-7 Structure
IdentificationBack Directory
[Name]

6-Fluoro-4-(trifluoromethyl)-2(1H)-quinolinone
[CAS]

328956-08-7
[Synonyms]

6-Fluoro-4-(trifluoromethyl)quinolin-2-ol
6-Fluoro-4-(trifluoromethyl)quinolin-2-ol ,97%
6-Fluoro-4-(trifluoroMethyl)quinolin-2(1H)-one
6-fluoro-4-(trifluoromethyl)-1H-quinolin-2-one
6-Fluoro-4-(trifluoromethyl)-2(1H)-quinolinone
6-Fluoro-2-hydroxy-4-(trifluoroMethyl)quinoline, 97%
[Molecular Formula]

C10H5F4NO
[MDL Number]

MFCD10574950
[MOL File]

328956-08-7.mol
[Molecular Weight]

231.15
Chemical PropertiesBack Directory
[Melting point ]

252-253 °C (decomp)(Solv: ethanol (64-17-5))
[Boiling point ]

282 ºC
[density ]

1.468
[Fp ]

124 ºC
[storage temp. ]

2-8°C
[pka]

9.33±0.70(Predicted)
[InChI]

InChI=1S/C10H5F4NO/c11-5-1-2-8-6(3-5)7(10(12,13)14)4-9(16)15-8/h1-4H,(H,15,16)
[InChIKey]

WUFRBOSKPZUGIS-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(F)C=C2)C(C(F)(F)F)=CC1=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H320-H335
[Precautionary statements ]

P261-P280-P302+P352-P305+P351+P338
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39
[HS Code ]

29334900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sulfuric acid-->Ethyl 4,4,4-trifluoroacetoacetate-->4-Fluoroaniline
[Preparation Products]

2-Bromo-6-fluoro-4-(trifluoromethyl)quinoline
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Description]

As a quinoline derivative, 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline is substituted with trifluoromethyl, hydroxyl, and fluoride groups. In particular, 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline can exist in a tautomeric form, known as quinolone, where the hydroxy group becomes a ketone and the imine changes to an amine. This compound is a precursor for synthesizing thioquinolines, which are used to develop non-cytotoxic, potent and selective antitubercular agents. The thiolation reaction is carried out using phosphorus pentasulfide in pyridine.
Spectrum DetailBack Directory
[Spectrum Detail]

6-Fluoro-4-(trifluoromethyl)-2(1H)-quinolinone(328956-08-7)1HNMR
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