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CAS No.: | 514797-97-8 |
---|---|
Name: | 2-Bromo-5-chloro-3-fluoropyridine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H2BrClFN |
Molecular Weight: | 210.433 |
Synonyms: | 2-Bromo-5-chloro-3-fluoropyridine; |
Density: | 1.83 g/cm3 |
Boiling Point: | 190.786 °C at 760 mmHg |
Flash Point: | 69.185 °C |
PSA: | 12.89000 |
LogP: | 2.63660 |
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The CAS register number of 2-Bromo-5-chloro-3-fluoropyridine is 514797-97-8. It also can be called as Pyridine,2-bromo-5-chloro-3-fluoro- and the IUPAC name about this chemical is 2-bromo-5-chloro-3-fluoropyridine. The molecular formula about this chemical is C5H2BrClFN and molecular weight is 210.43. It belongs to the following product categories which include Halides; Heterocycles and so on.
Physical properties about 2-Bromo-5-chloro-3-fluoropyridine are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 14; (5)ACD/BCF (pH 7.4): 14; (6)ACD/KOC (pH 5.5): 235; (7)ACD/KOC (pH 7.4): 235; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89Å2; (10)Index of Refraction: 1.555; (11)Molar Refractivity: 36.923 cm3; (12)Molar Volume: 115.002 cm3; (13)Polarizability: 14.637x10-24cm3; (14)Surface Tension: 43.245 dyne/cm; (15)Enthalpy of Vaporization: 40.951 kJ/mol; (16)Boiling Point: 190.786 °C at 760 mmHg; (17)Vapour Pressure: 0.738 mmHg at 25°C.
Uses of 2-Bromo-5-chloro-3-fluoropyridine: it can be used to produce 5-chloro-3-fluoro-pyridine-2-carboxylic acid with carbon dioxide at temperature of -75 ℃. This reaction will need reagent 2 equiv. butyllithium and solvent toluene, hexane//toluene, hexane with reaction time of 1 hours. The reaction step is 2. The yield is about 71%.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnc(Br)c(F)c1
(2)InChI: InChI=1/C5H2BrClFN/c6-5-4(8)1-3(7)2-9-5/h1-2H
(3)InChIKey: PYDGFYYLQFJQBZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H2BrClFN/c6-5-4(8)1-3(7)2-9-5/h1-2H
(5)Std. InChIKey: PYDGFYYLQFJQBZ-UHFFFAOYSA-N