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5-Chloro-2,4,6-trifluoropyrimidine

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Name

5-Chloro-2,4,6-trifluoropyrimidine

EINECS 211-807-4
CAS No. 697-83-6 Density 1.626
PSA 25.78000 LogP 1.54730
Solubility N/A Melting Point N/A
Formula C4Cl F3 N2 Boiling Point 114-116 ºC
Molecular Weight 168.506 Flash Point >230°F
Transport Information N/A Appearance Colorless liquid.
Safety 610168 Risk Codes R36/37/38   
Molecular Structure Molecular Structure of 697-83-6 (5-Chloro-2,4,6-trifluoropyrimidine) Hazard Symbols
Synonyms

2,4,6-Trifluoro-5-chloropyrimidine;5-Chloro-2,4,6-trifluoropyrimidine; 5-Chloroperfluoropyrimidine;Trifluoro-5-chloropyrimidine

Article Data 13

5-Chloro-2,4,6-trifluoropyrimidine Synthetic route

1780-40-1

2,4,5,6-tetrachloropyrimidine

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

Conditions
ConditionsYield
With potassium fluoride; 18-crown-6 ether In sulfolane at 190℃; for 15h;91%
696-82-2

2,4,6-trifluoropyrimidine

A

767-79-3

2,4,5,6-tetrafluoropyrimidine

B

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

Conditions
ConditionsYield
With chlorine pentafluoride In various solvent(s) at 0℃;A 14.8%
B 8.7%
767-79-3

2,4,5,6-tetrafluoropyrimidine

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

5-chloro-2,6-difluoro-4-(2,3,4,6-tetra-O-benzyl-β-D-glucopyranosyloxy)pyrimidine

Conditions
ConditionsYield
With 15-crown-5; sodium hydride In dichloromethane -40 deg C, 15 min, then room temp.;85%
1174-72-7

tetraphenoxysilane

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

2,4,6-triphenoxy-5-chloropyrimidine

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran; acetone at 50℃; for 16h;85%
681-84-5

tetramethylorthosilicate

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

4319-89-5

5-chloro-2,4,6-trimethoxy-pyrimidine

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran; acetone at 50℃; for 24h;81%
697-83-6

2,4,6-trifluoro-5-chloropyrimidine

5-chloro-2,6-difluoro-4-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)pyrimidine

Conditions
ConditionsYield
With 15-crown-5; sodium hydride In dichloromethane -20 deg C, 15 min, then room temp.;80%
1067-43-2

tetraallyloxysilane

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

C13H15ClN2O3

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran; acetone at 50℃; for 24h;79%
78-10-4

tetraethoxy orthosilicate

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

4319-91-9

5-chloro-2,4,6-triethoxy-pyrimidine

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran; acetone at 50℃; for 24h;75%
14221-01-3

tetrakis(triphenylphosphine) palladium(0)

697-83-6

2,4,6-trifluoro-5-chloropyrimidine

863225-16-5

trans-[PdCl(5-C4N2F3)(PPh3)2]

Conditions
ConditionsYield
In toluene soln. of Pd complex in toluene treated with ligand (1 equiv.); heated toreflux for 2 h; cooled to room temp.; filtered; volatiles removed from filtrate under vac.; washed with hexane; dried in vac.; elem. anal.;73%

5-Chloro-2,4,6-trifluoropyrimidine Chemical Properties

Molecular Structure:

Molecular Formula: C4ClF3N2
Molecular Weight: 168.5044
IUPAC Name: 5-Chloro-2,4,6-trifluoropyrimidine
Synonyms of Pyrimidine,5-chloro-2,4,6-trifluoro- (CAS NO.697-83-6): EINECS 211-807-4 ; 5-Chloro-2,4,6-trifluoropyrimidine
CAS NO: 697-83-6
Classification Code: Pyrimidine ; Building Blocks ; Halogenated Heterocycles ; Heterocyclic Building Blocks ; Pyrimidines ; PyrimidinesHeterocyclic Building Blocks 
H bond acceptors: 2
Polar Surface Area: 25.78 Å2
Index of Refraction: 1.456
Molar Refractivity: 27.31 cm3
Molar Volume: 100.4 cm3
Surface Tension: 40.1 dyne/cm
Density: 1.677 g/cm3
Flash Point: 103.4 °C
Enthalpy of Vaporization: 46.48 kJ/mol
Boiling Point: 247.3 °C at 760 mmHg
Vapour Pressure: 0.0407 mmHg at 25°C

5-Chloro-2,4,6-trifluoropyrimidine Uses

  Pyrimidine,5-chloro-2,4,6-trifluoro- (CAS NO.697-83-6) is used for the production of fluorine-containing dyes F-type high.

5-Chloro-2,4,6-trifluoropyrimidine Safety Profile

Hazard Codes of Pyrimidine,5-chloro-2,4,6-trifluoro- (CAS NO.697-83-6): IrritantXi
Risk Statements: 36/37/38 
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing. 
S37/39: Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT, MOISTURE SENSITIVE

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