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

Name
5-Chloro-2,4,6-trifluoropyrimidine
EINECS 211-807-4
CAS No. 697-83-6
Article Data13
CAS DataBase
Density 1.626
Solubility
Melting Point
Formula C4Cl F3 N2
Boiling Point 114-116 ºC
Molecular Weight 168.506
Flash Point >230°F
Transport Information
Appearance Colorless liquid.
Safety 610168
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2,4,6-Trifluoro-5-chloropyrimidine;5-Chloro-2,4,6-trifluoropyrimidine; 5-Chloroperfluoropyrimidine;Trifluoro-5-chloropyrimidine
PSA 25.78000
LogP 1.54730

Synthetic route

: 1780-40-1
2,4,5,6-tetrachloropyrimidine

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

Conditions

Conditions	Yield
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

Conditions	Yield
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

: 4291-69-4, 6386-24-9, 6564-72-3, 59531-24-7, 69257-52-9, 78184-89-1, 78609-16-2, 78609-17-3, 78609-18-4, 96553-53-6, 104111-61-7, 131347-08-5, 4132-28-9
2,3,4,6-Tetra-O-benzyl-D-glucopyranose

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran; acetone at 50℃; for 24h;	81%

: 3947-62-4, 6207-76-7, 19235-21-3, 22554-70-7, 22860-22-6, 47339-09-3, 57884-82-9, 62057-79-8, 70191-05-8, 109525-54-4, 140147-37-1, 10343-06-3
2,3,4,5-tetra-O-acetyl-D-glucopyranose

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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%

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

A: 76411-48-8
4-azido-5-chloro-2,6-difluoropyrimidine

B: 4,6-diazido-5-chloro-2-fluoropyrimidine

Conditions

Conditions	Yield
With sodium azide In acetonitrile 0 deg C, 6 h, RT, 30 min;	A 60% B 16%

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

A: 1353054-67-7
4,6-diamino-5-chloro-2-fluoropyrimidine

B: 1353054-66-6
2,4-diamino-5-chloro-6-fluoropyrimidine

Conditions

Conditions	Yield
With ammonia In water; acetonitrile at 0 - 45℃; for 10h;	A 57% B 31%

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 6476-36-4
tris(1-methylethyl)phosphine

: 863225-13-2
trans-[NiF(4-C4N2ClF2)(P-i-Pr3)2]

Conditions

Conditions	Yield
In tetrahydrofuran suspn. of Ni complex in THF treated with phosphine (2 equiv.); 10 min; ligand (1 equiv.) added; stirred at room temp. for 2 h; volatiles removed under vac.; extd. with hexane; volatiles removed from extract in vac.; elem. anal.;	42%

...Expand

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 2622-14-2
tricyclohexylphosphine

: 433725-49-6
trans-[NiF(4-C4N2ClF2)(P(C6H11)3)2]

Conditions

Conditions	Yield
In hexane Ni complex was treated sequantially with PCy3 and pyrimidine in hexane soln. at room temp.; NMR monitoring; recrystd. (hexane, -20°C); elem. anal.;	34%

...Expand

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 603-35-0
triphenylphosphine

: 863225-15-4
trans-[NiCl(4-C4N2ClF2)(PPh3)2]

: 863225-14-3
trans-[NiF(4-C4N2ClF2)(PPh3)2]

Conditions

Conditions	Yield
In tetrahydrofuran suspn. of Ni complex in THF treated with phosphine (2.3 equiv.); stirredat room temp. for 5 min; ligand (1 equiv.) added; stirred for 4 h; volatiles removed under vac.; washed with cold hexane; dried in vac.; elem. anal.;	A n/a B 31%

...Expand

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 554-70-1
triethylphosphine

: 433725-48-5
trans-[NiCl(5-C4N2F3)(PEt3)2]

Conditions

Conditions	Yield
In hexane Ni complex was treated sequantially with PEt3 and pyrimidine in hexane soln. at room temp.; crystd. at -20°C; elem. anal.;	20%

...Expand

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 76411-48-8
4-azido-5-chloro-2,6-difluoropyrimidine

Conditions

Conditions	Yield
With sodium azide In acetonitrile

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 25151-07-9
Di-fluoro-mono-chloro-pyrimidine

Conditions

Conditions	Yield
Stage #1: 2,4,6-trifluoro-5-chloropyrimidine With bis(1,5-cyclooctadiene)nickel (0); tricyclohexylphosphine In hexane at 20℃; for 2h; Stage #2: With hydrogenchloride In diethyl ether; benzene-d6 Further stages.;

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 5-chloro-2,6-difluoro-4-iodopyrimidine

Conditions

Conditions	Yield
Stage #1: 2,4,6-trifluoro-5-chloropyrimidine With bis(1,5-cyclooctadiene)nickel (0); tricyclohexylphosphine In hexane at 20℃; for 2h; Stage #2: With iodine In benzene-d6 Further stages.;

: 110-91-8
morpholine

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 639855-32-6
4-(5-chloro-2,6-difluoropyrimidin-4-yl)morpholine

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In 1,4-dioxane at 20℃; for 16h;

: cis-3,5-dimethylpiperidine

: trans-3,5-dimethylpiperidine

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 5-chloro-2,4-difluoro-6-(3,5-dimethylpiperidino)pyrimidine

: 5-chloro-2,4-difluoro-6-(3,5-dimethylpiperidino)pyrimidine

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 1.5h;

...Expand

: 6375-71-9
trimethyl-(3-aminophenyl)-ammonium chloride

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: Azure B

Conditions

Conditions	Yield
With sodium carbonate; sodium chloride In water

: trimethyl-(4-aminophenyl)-ammonium chloride

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: Azure B

Conditions

Conditions	Yield
With sodium carbonate In water

: 107342-21-2
5-nitro-2-(β-sulphoethylamino)-benzenesulphonamide

: 107-35-7
Tau

: 96-72-0
2-chloro-5-nitrobenzenesulfonamide

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

: 96819-50-0
4-chloro-2,5,6-trifluoropyrimidine

: 107342-25-6
5-amino-2-(β-sulphoethylamino)-benzenesulphonamide

Conditions

Conditions	Yield
With sodium hydroxide; potassium chloride In aluminum nickel; water

...Expand

: 943238-10-6
(1S,4R)-7,7-dimethyl-1-({[(3R)-3-methyl-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-one

: 697-83-6
2,4,6-trifluoro-5-chloropyrimidine

A: (1S,4R)-1-({[(3R)-4-(5-chloro-2,6-difluoro-4-pyrirnidinyl)-3-methyl-1-piperazinyl]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one

B: (1S,4R)-1-({[(3R)-4-(5-chloro-4,6-difluoro-2-pyrirnidinyl)-3-methyl-1-piperazinyl]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dimethyl sulfoxide at 50℃; for 16h;

...Expand

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): Irritant Xi
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

Product Name

5-Chloro-2,4,6-trifluoropyrimidine

Synthetic route

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

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

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

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