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2,3,5,6-Tetrafluoropyridine

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Name

2,3,5,6-Tetrafluoropyridine

EINECS -0
CAS No. 2875-18-5 Density 1.518 g/cm3
PSA 12.89000 LogP 1.63800
Solubility N/A Melting Point N/A
Formula C5HF4N Boiling Point 106 °C at 760 mmHg
Molecular Weight 151.063 Flash Point 30.6 °C
Transport Information UN 1993 3/PG 3 Appearance clear colorless liquid
Safety 28-36 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 2875-18-5 (2,3,5,6-Tetrafluoropyridine) Hazard Symbols IrritantXi, FlammableF, CorrosiveC
Synonyms

Pyridine,2,3,5,6-tetrafluoro-

Article Data 9

2,3,5,6-Tetrafluoropyridine Specification

The IUPAC name of 2,3,5,6-Tetrafluoropyridine is 2,3,5,6-tetrafluoropyridine. With the CAS registry number 2875-18-5, it is also named as Pyridine, 2,3,5,6-tetrafluoro-. The product's categories are Pyridine; Heterocyclic Compounds; Fluoropyridines; Halopyridines; C5; Heterocyclic Building Blocks; Pyridines. Besides, it is clear colorless liquid, which should be stored in refrigerator in sealed, cool and dry place. In addition, its molecular formula is C5HF4N and molecular weight is 151.06.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.79; (6)ACD/BCF (pH 7.4): 3.79; (7)ACD/KOC (pH 5.5): 90.27; (8)ACD/KOC (pH 7.4): 90.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.403; (14)Molar Refractivity: 24.31 cm3; (15)Molar Volume: 99.4 cm3; (16)Polarizability: 9.64×10-24cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 1.518 g/cm3; (19)Flash Point: 30.6 °C; (20)Enthalpy of Vaporization: 33.06 kJ/mol; (21)Boiling Point: 106 °C at 760 mmHg; (22)Vapour Pressure: 33.6 mmHg at 25 °C.

Preparation of 2,3,5,6-Tetrafluoropyridine: this chemical can be prepared by Pentafluoro-pyridine.



This reaction needs DIBAL and Bis-(2-methoxy-ethyl) ether at temperature of 100 °C. The reaction time is 24 hours. The yield is 77 %.

Uses of 2,3,5,6-Tetrafluoropyridine: it can react with S,S-Diphenyl-sulfimide to get 2-(S,S-Diphenylsulfilimino)-3,5,6-trifluoropyridine.



This reaction needs Tetrahydrofuran by heating for 4 hours. The yield is 95 %.

When you are using this chemical, please be cautious about it as the following: it is flammable. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing. After contact with skin, please wash immediately with plenty of soap-suds.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1c(F)nc(F)c(F)c1
(2)InChI: InChI=1/C5HF4N/c6-2-1-3(7)5(9)10-4(2)8/h1H
(3)InChIKey: HWIPMBCMGVXOKN-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5HF4N/c6-2-1-3(7)5(9)10-4(2)8/h1H
(5)Std. InChIKey: HWIPMBCMGVXOKN-UHFFFAOYSA-N

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