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2875-18-5

Basic Information
CAS No.: 2875-18-5
Name: 2,3,5,6-Tetrafluoropyridine
Article Data: 9
Molecular Structure:
Molecular Structure of 2875-18-5 (2,3,5,6-Tetrafluoropyridine)
Formula: C5HF4N
Molecular Weight: 151.063
Synonyms: Pyridine,2,3,5,6-tetrafluoro-
EINECS: -0
Density: 1.518 g/cm3
Boiling Point: 106 °C at 760 mmHg
Flash Point: 30.6 °C
Appearance: clear colorless liquid
Hazard Symbols: IrritantXi, FlammableF, CorrosiveC
Risk Codes: 10-36/37/38
Safety: 28-36
Transport Information: UN 1993 3/PG 3
PSA: 12.89000
LogP: 1.63800
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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