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94239-04-0

94239-04-0 Structure

94239-04-0 Structure
IdentificationMore
[Name]

2-Fluoro-6-trifluoromethylpyridine
[CAS]

94239-04-0
[Synonyms]

2-FLUORO-6-(TRIFLUOROMETHYL)PYRIDINE
2-FLUORO-6-RIFLUOROMETHYLPYRIDINE
2-Trifluoromethyl-6-fluoropyridine
[EINECS(EC#)]

428-100-3
[Molecular Formula]

C6H3F4N
[MDL Number]

MFCD03092901
[Molecular Weight]

165.09
[MOL File]

94239-04-0.mol
Questions And AnswerBack Directory
[Synthesis]

At 0°C, 2-chloro-6-trichloromethylpyridine, hydrofluoric acid, ferric chloride, and solvent were slowly added to a vacuum-dried pressure-resistant tube. The resulting mixture was stirred at 170°C for 4 hours, and the reaction progress was monitored by gas chromatography. The reaction was cooled to room temperature, and after the reaction was complete, a saturated sodium carbonate aqueous solution was slowly added to the reaction system to neutralize the acid produced during the reaction, adjusting the pH of the reaction system to alkaline. After extraction with ethyl acetate, the organic layer was dried, and then evaporated to dryness to obtain the target product.

Synthesis of 94239-04-0

Figure: Synthetic route of 2-fluoro-6-trifluoromethylpyridine

Chemical PropertiesBack Directory
[Appearance]

Cloroless to light yellow liquid
[Boiling point ]

121.6±35.0 °C(Predicted)
[density ]

1.371±0.06 g/cm3(Predicted)
[vapor pressure ]

5.6hPa at 25℃
[refractive index ]

1.4010-1.4050
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

clear liquid
[pka]

-5.11±0.12(Predicted)
[color ]

Colorless to Almost colorless
[Water Solubility ]

1.9g/L at 25℃
[InChI]

InChI=1S/C6H3F4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
[InChIKey]

IZOIOCQPMHHDHN-UHFFFAOYSA-N
[SMILES]

C1(F)=NC(C(F)(F)F)=CC=C1
[LogP]

1.83 at 25℃
[CAS DataBase Reference]

94239-04-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H302+H332-H412-H302-H332-H402
[Precautionary statements ]

P210-P233-P240-P241+P242+P243-P261-P264-P270-P271-P273-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P403+P235-P501-P280a-P304+P340-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 ]

1993
[Hazard Note ]

Irritant
[REACH Registrations]

Active
[HazardClass ]

3
[HazardClass ]

IRRITANT
[PackingGroup ]

III
[HS Code ]

2933399960
Hazard InformationBack Directory
[Chemical Properties]

Cloroless to light yellow liquid
[Uses]

2-Fluoro-6-trifluoromethylpyridine is a useful research chemical used in the preparation of 2-(3-alkoxy-1H-pyrazol-1-yl)azines as inhibitors of human dihydroorotate dehydrogenase.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluoro-6-trifluoromethylpyridine(94239-04-0)1HNMR
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