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427659

Sigma-Aldrich

3-Chloro-2,4,5,6-tetrafluoropyridine

98%

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About This Item

Empirical Formula (Hill Notation):
C5ClF4N
CAS Number:
Molecular Weight:
185.51
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

98%

form

liquid

refractive index

n20/D 1.436 (lit.)

bp

118-121 °C (lit.)

density

1.609 g/mL at 25 °C (lit.)

SMILES string

Fc1nc(F)c(Cl)c(F)c1F

InChI

1S/C5ClF4N/c6-1-2(7)3(8)5(10)11-4(1)9

InChI key

UXUZMYHSICIOQT-UHFFFAOYSA-N

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General description

3-Chloro-2,4,5,6-tetrafluoropyridine (3-chlorotetrafluoropyridine) is a fluoropyridine derivative. Its quantum mechanical calculations of energies, geometries and vibrational wave numbers have been performed by DFT level of theory. The interpretation of its FT-IR and FT-Raman spectra have been reported. It forms corresponding organo-zinc compound by reacting with zinc. 3-Chlorotetrafluoropyridine reacts with tris(diethylamino)phosphine (P(NEt)3) in the presence of a proton donor to form product with fluorine replaced by hydrogen at position 4.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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3-Fluoropyridyl nickel complexes as useful tools for the selective synthesis of new 2,4,5,6-tetrafluoropyridines: a route complementing the established methods to access fluorinated pyridines.
Sladek MI, et al.
New. J. Chem., 27(2), 313-318 (2003)
Reactions of polyfluoroarenes with zinc: hydrogenolysis and synthesis of polyfluoroaromatic organozinc compounds.
Krasnov VI and Platonov VE.
Journal of Fluorine Chemistry, 58(2), 247-247 (1992)
Heterocyclic polyfluoro-compounds. Part XII. Synthesis and some reactions of 2,3,5,6-tetrafluoro-4-iodopyridine.
Banks RE, et al.
J. Chem. Soc. Sect. C, 2091-2095 (1967)
Photochemical reaction of ethylene with 3-chlorotetrafluoropyridine: a novel insertion into a C-Cl bond.
Barlow MG, et al.
Journal of the Chemical Society. Chemical Communications, 14, 608-609 (1979)
Reactions of polyfluoroaromatic compounds with electrophilic agents in the presence of tris(dialkylamino)phosphines.
Bardin VV.
Russian Chemical Bulletin, 46(8), 1434-1436 (1997)

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