ChemicalBook--->CAS DataBase List--->34486-06-1

34486-06-1

34486-06-1 Structure

34486-06-1 Structure
IdentificationMore
[Name]

2-HYDROXY-6-(TRIFLUOROMETHYL)PYRIDINE
[CAS]

34486-06-1
[Synonyms]

2-HYDROXY-6-(TRIFLUOROMETHYL)PYRIDINE
6-TRIFLUOROMETHYLPYRIDIN-2-ONE
2-HYDROXY-6-TRIFLUOROMETHYLPRIDINE
6-TRIFLUOROMETHYL-PYRIDINE-2-OL
6-trifluoromethyl-1H-pyridin-2-one
2(1H)-Pyridinone, 6-(trifluoromethyl)-
[EINECS(EC#)]

803-542-3
[Molecular Formula]

C6H4F3NO
[MDL Number]

MFCD07368054
[Molecular Weight]

163.1
[MOL File]

34486-06-1.mol
Chemical PropertiesBack Directory
[Melting point ]

124-126°
[Boiling point ]

223.7±40.0 °C(Predicted)
[density ]

1.398±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

8.03±0.10(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C6H4F3NO/c7-6(8,9)4-2-1-3-5(11)10-4/h1-3H,(H,10,11)
[InChIKey]

XXRUAAOADAPPII-UHFFFAOYSA-N
[SMILES]

C1(=O)NC(C(F)(F)F)=CC=C1
[CAS DataBase Reference]

34486-06-1(CAS DataBase Reference)
[EPA Substance Registry System]

2(1H)-Pyridinone, 6-(trifluoromethyl)- (34486-06-1)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H341
[Precautionary statements ]

P501-P202-P201-P264-P280-P302+P352-P308+P313-P337+P313-P305+P351+P338-P362+P364-P332+P313-P405
[Hazard Codes ]

T,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 .
[RIDADR ]

2811
[HazardClass ]

IRRITANT
[PackingGroup ]

Ⅲ
[HS Code ]

2933399990
Hazard InformationBack Directory
[Uses]

2-Hydroxy-6-trifluoromethylpyridine
[Synthesis]

2-Chloro-6-(trifluoromethyl)pyridine

39890-95-4

2-HYDROXY-6-(TRIFLUOROMETHYL)PYRIDINE

34486-06-1

(3) 1500 g of tert-butanol, 140 g of potassium hydroxide and 2-chloro-6-trifluoromethylpyridine prepared in step (2) were added to a 3 L reaction flask, heated up to 70 °C, and the reaction was held for 8 hours. After completion of the reaction, tert-butanol was removed by distillation under reduced pressure, 550 g of ethyl acetate and 550 g of water were added and mixed with stirring. The organic layer was washed with 370 g of saturated brine and dried by adding 100 g of anhydrous sodium sulfate. The ethyl acetate was removed by rotary evaporation to obtain 172.4 g of crude product; (4) The crude product prepared in step (3) was dissolved in 150 g of ethyl acetate, heated to 70 °C and stirred. 1200 g of petroleum ether was added slowly dropwise and the mixture was cooled to 2°C after the dropwise addition was completed, solid crystals were precipitated and the solid was collected by filtration. The solid was washed with 50 g of petroleum ether and dried at 70 °C to give 131.2 g of 2-hydroxy-6-trifluoromethylpyridine as a light yellow solid powder in 80.8% yield.

[References]

[1] Patent: CN106866512, 2017, A. Location in patent: Paragraph 0014
[2] Patent: US5973159, 1999, A
[3] Patent: CN107759513, 2018, A. Location in patent: Paragraph 0017
Spectrum DetailBack Directory
[Spectrum Detail]

2-HYDROXY-6-(TRIFLUOROMETHYL)PYRIDINE(34486-06-1)1HNMR
2-HYDROXY-6-(TRIFLUOROMETHYL)PYRIDINE(34486-06-1)19FNMR
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