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99368-66-8

99368-66-8 Structure

99368-66-8 Structure
IdentificationMore
[Name]

2-HYDROXY-5-NITRO-3-(TRIFLUOROMETHYL)PYRIDINE
[CAS]

99368-66-8
[Synonyms]

2-Hydroxy-5-nitro-3-(trifL
5-NITRO-3-(TRIFLUOROMETHYL-2-PYRIDONE)
5-NITRO-3-(TRIFLUOROMETHYL)PYRIDIN-2-OL
5-Nitro-3-(trifluoromethyl)pyridin-2-one
5-Nitro-3-trifluoroMethyl-1H-pyridin-2-one
2-Hydroxy-3-trifluoromethyl-5-nitropyridine
5-nitro-3-trifluoromethyl-2-hydroxypyridine
5-aMino-3-(trifluoroMethyl)pyridin-2(1H)-one
5-nitro-3-(trifluoromethyl)-2(1H)-Pyridinone
5-Nitro-3-(trifluoroMethyl)pyridin-2(1H)-one
2(1H)-Pyridinone,5-nitro-3-(trifluoromethyl)-
2-HYDROXY-5-NITRO-3-(TRIFLUOROMETHYL)PYRIDINE
2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine98%
2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine 98%
2-HYDROXY-5-NITRO-3-(TRIFLUOROMETHYL)PYRIDINE ISO 9001:2015 REACH
5-Nitro-3-(trifluoromethyl)pyridin-2-ol, 5-Nitro-3-(trifluoromethyl)pyridin-2(1H)-one
[EINECS(EC#)]

848-721-7
[Molecular Formula]

C6H3F3N2O3
[MDL Number]

MFCD00276983
[Molecular Weight]

208.09
[MOL File]

99368-66-8.mol
Questions And AnswerBack Directory
[Preparation]

Nitric acid (24 mL, 0.55 mol) was slowly added dropwise to a solution of 2-hydroxy-3-(trifluoromethyl)pyridine (20.00 g, 0.12 mol) in 160 mL of sulfuric acid at -10 °C, and the reaction mixture was stirred at 40 °C for 6 hours. The progress of the reaction was then confirmed by TLC. After the reaction was complete, the reaction mixture was added to ice water, and the pH of the solution was adjusted to 4-5 with saturated NaOH aqueous solution. The aqueous layer was extracted with ethyl acetate, and the resulting organic layer was washed with saturated brine, dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure to obtain 2-hydroxy-5-nitro-3-trifluoromethylpyridine.

Chemical PropertiesBack Directory
[Melting point ]

158°C
[Boiling point ]

255.2±40.0 °C(Predicted)
[density ]

1.61±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

5.71±0.10(Predicted)
[color ]

Yellow
[InChI]

InChI=1S/C6H3F3N2O3/c7-6(8,9)4-1-3(11(13)14)2-10-5(4)12/h1-2H,(H,10,12)
[InChIKey]

BHUILUYFGJBXHQ-UHFFFAOYSA-N
[SMILES]

C1(=O)NC=C([N+]([O-])=O)C=C1C(F)(F)F
[LogP]

0.41 at 25℃
[CAS DataBase Reference]

99368-66-8(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[Hazard Note ]

Irritant
[REACH Registrations]

Inactive
[HS Code ]

2933399990
Hazard InformationBack Directory
[Chemical Properties]

2-Hydroxy-5-nitro-3-trifluoromethylpyridine is solid at room temperature and pressure, and it is a pyridine derivative. The hydroxyl group in the 2nd position in the structure and the double bond on the pyridine ring form the enol form that will be reciprocally isomorphic into the structure of amide.
[Uses]

2-Hydroxy-5-nitro-3-(trifluoromethyl)pyridine is a class of aromatic heterocyclic compounds that can be used as intermediates for Apalutamide, which is an androgen receptor inhibitor used in the treatment of prostate cancer.
Spectrum DetailBack Directory
[Spectrum Detail]

2-HYDROXY-5-NITRO-3-(TRIFLUOROMETHYL)PYRIDINE(99368-66-8)1HNMR
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