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69045-82-5

69045-82-5 Structure

69045-82-5 Structure
IdentificationMore
[Name]

2-Fluoro-5-trifluoromethylpyridine
[CAS]

69045-82-5
[Synonyms]

2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE
2-Fluoro-5-(Trichloromethyl)Py
2-Fluoro-5-(trifluoromethyl)pyridine ,98%
[EINECS(EC#)]

400-290-2
[Molecular Formula]

C6H3F4N
[MDL Number]

MFCD07437945
[Molecular Weight]

165.09
[MOL File]

69045-82-5.mol
Chemical PropertiesBack Directory
[Boiling point ]

118-122℃
[density ]

1.368 g/mL at 25 °C
[Fp ]

35°(95°F)
[refractive index ]

1.4020
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

clear liquid
[pka]

-2.86±0.10(Predicted)
[color ]

Colorless to Almost colorless
[Detection Methods]

GC,NMR
[InChI]

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

UUODQIKUTGWMPT-UHFFFAOYSA-N
[SMILES]

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

69045-82-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

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

Warning
[Hazard statements ]

H226-H317-H412-H402
[Precautionary statements ]

P210-P233-P240-P241+P242+P243-P261-P272-P302+P352+P333+P313+P363-P403+P235-P501-P280a-P303+P361+P353-P501a-P273-P280
[Hazard Codes ]

Xi,Xn
[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 .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R43:May cause sensitization by skin contact.
R10:Flammable.
[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 .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S37:Wear suitable gloves .
S24:Avoid contact with skin .
S36:Wear suitable protective clothing .
[RIDADR ]

1993
[WGK Germany ]

3
[Hazard Note ]

Irritant
[REACH Registrations]

Inactive
[HazardClass ]

3
[HazardClass ]

IRRITANT
[PackingGroup ]

[HS Code ]

29333990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Aquatic Chronic 3
Flam. Liq. 3
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Synthesis]

In a 1-liter three-necked flask, 46.20g (0.80 mol) of KF was added, followed by 500 mL of N, N-dimethylacetamide, which was warmed to 125 °C and stirred for 30 minutes. The setup was then connected to a distillation unit for micro-vacuum distillation, during which fractions were collected, and the water content was monitored using three separate bottles. Distillation was halted when the water content reached less than 500 ppm. Subsequently, 7g (0.03 mol) of benzyl triethyl ammonium chloride and 100g (0.55 mol) of 2-chloro-5-trifluoromethylpyridine were added to the flask. A condenser was connected, and the mixture was warmed to 135 °C and stirred for 10 hours. Gas chromatography was used to monitor the reaction; the reaction was stopped when the content of 2-chloro-5-trifluoromethylpyridine in the reaction solution was less than 1%. The reaction solution was directly distilled under reduced pressure to collect the fraction at 40-45 °C / 11 mmHg, yielding 87.80g of 2-fluoro-5-trifluoromethylpyridine with a purity of 98.95% (GC) and a yield of 95.56%.
[References]

[1] Patent: CN106866509, 2017, A. Location in patent: Paragraph 0030; 0032; 0044; 0046
Questions And AnswerBack Directory
[Application]

2-Fluoro-5-trifluoromethylpyridine is an important chemical intermediate. By introducing fluorine atoms into the pyridine ring and pyridine side chain, it has strong lipophilicity and can play an important role in pesticides and pharmaceuticals. Its application value and market prospects are very promising.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluoro-5-trifluoromethylpyridine(69045-82-5)1HNMR
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