ChemicalBook--->CAS DataBase List--->76469-41-5

76469-41-5

76469-41-5 Structure

76469-41-5 Structure
IdentificationMore
[Name]

2,3,5-Trifluoropyridine
[CAS]

76469-41-5
[Synonyms]

2,3,5-TRIFLUOROPYRIDINE
2,3,5-Trifluoropyridine 98%
2,3,5-Trifluoropyridine98%
[EINECS(EC#)]

680-886-9
[Molecular Formula]

C5H2F3N
[MDL Number]

MFCD03001162
[Molecular Weight]

133.07
[MOL File]

76469-41-5.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid
[Boiling point ]

102°C
[density ]

1,499 g/cm3
[refractive index ]

1.422
[Fp ]

30°C
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

clear liquid
[pka]

-5.28±0.20(Predicted)
[color ]

Colorless to Light yellow
[Specific Gravity]

1.499
[Water Solubility ]

Difficult to mix in water.
[BRN ]

6385503
[InChI]

InChI=1S/C5H2F3N/c6-3-1-4(7)5(8)9-2-3/h1-2H
[InChIKey]

JKVOXNTXYMXDHN-UHFFFAOYSA-N
[SMILES]

C1(F)=NC=C(F)C=C1F
[CAS DataBase Reference]

76469-41-5(CAS DataBase Reference)
Questions And AnswerBack Directory
[Synthesis]

A solution of pentafluoropyridine (3) (0.6 g, 3.6 mmol) in tetrahydrofuran (5  cm3) was added to a mixture of lithium aluminium hydride (5 cm3, 5 mmol of 1.0 M  solution in ether) and 12-crown-4 (1.0 g, 5.7 mmol) in THF (10 cm3) at 0 "C, with  stirring, under an atmosphere of dry nitrogen. The mixture was stirred at 0 "C for 10  min, then at room temperature for 19 h, then iced water added and the mixture extracted  into ether. The ether solution was dried (MgS04), evaporated and the products were  isolated by preparative scale GLC (1 0% SE, 40"C), giving 2,3,5-trifluoropyridine (7,  92%) 50(Found: C, 44.9; H, 1.3; N, 10.5. Calc. for C5H2F3N: C, 45.1; H, 1.5; N,  10.5); IR spectrum no. 2; mass spectrum no. 3; nmr spectrum no. 3.
Safety DataBack Directory
[Symbol(GHS) ]

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

Warning
[Hazard statements ]

H226-H315-H319-H335
[Precautionary statements ]

P280g-P305+P351+P338-P337+P313
[Hazard Codes ]

Xi,F,C
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
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 .
S37:Wear suitable gloves .
[RIDADR ]

1993
[Hazard Note ]

Flammable/Irritant
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29333990
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2,3,5-Trifluoropyridine(76469-41-5).msds
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid
[Uses]

It is employed as a pharmaceutical intermediate.
[References]

[1] Journal of Fluorine Chemistry, 2013, vol. 155, p. 132 - 142
Spectrum DetailBack Directory
[Spectrum Detail]

2,3,5-Trifluoropyridine(76469-41-5)1HNMR
2,3,5-Trifluoropyridine(76469-41-5)19FNMR
2,3,5-Trifluoropyridine(76469-41-5)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2,3,5-Trifluoropyridine, 98+%(76469-41-5)
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