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| CAS No.: | 72537-17-8 |
|---|---|
| Name: | 3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE |
| Article Data: | 9 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H2ClF4N |
| Molecular Weight: | 199.535 |
| Synonyms: | 2-Fluoro-3-chloro-5-(trifluoromethyl)pyridine;3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine; |
| EINECS: | 625-955-6 |
| Density: | 1.508 g/cm3 |
| Melting Point: | 16-20 °C(lit.) |
| Boiling Point: | 155.197 °C at 760 mmHg |
| Flash Point: | 47.662 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 10-36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 12.89000 |
| LogP: | 2.89290 |
- 81281-59-67-Benzylideneaminotheophylline
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
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- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
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- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 69045-84-7
2,3-dichloro-5-trifluoromethylpyridine
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With potassium carbonate; cesium fluoride In dimethyl sulfoxide at 120℃; under 18.7519 - 22.5023 Torr; for 4h; Product distribution / selectivity; | 100% |
| With potassium carbonate; cesium fluoride In 1-methyl-pyrrolidin-2-one at 70℃; for 1 - 3h; Product distribution / selectivity; | 98% |
| With potassium fluoride; N-benzyl-N,N,N-triethylammonium chloride In N,N-dimethyl acetamide at 170℃; for 5h; Temperature; | 97% |
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With pyridine hydrogenfluoride; sodium nitrite 1.) O deg C, 20 min, 2.) 20 deg C, 1 h; | 99% |
| With pyridine; hydrogen fluoride; sodium nitrite 1.) 0 deg C, 30 min; 2.) 20 deg C, 1 h; Yield given. Multistep reaction; |
- 69045-83-6
2,3-dichloro-5-(trichloromethyl)pyridine
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| Stage #1: 2,3-dichloro-5-(trichloromethyl)pyridine under 75007.5 Torr; for 6h; Autoclave; Inert atmosphere; Stage #2: With hydrogen fluoride at -5 - 185℃; for 12h; Temperature; Autoclave; | 97.56% |
| With hydrogen fluoride; antimony pentafluoride at 180℃; under 45004.5 Torr; for 24h; Temperature; Pressure; Large scale; |
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
- 79456-26-1
2-amino-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With ammonia In tetrahydrofuran at 35℃; under 1950.2 Torr; for 28h; Product distribution / selectivity; Autoclave; Inert atmosphere; | 99.5% |
| With acetamidine hydrochloride; sodium hydroxide In water; dimethyl sulfoxide at 130℃; for 24h; Schlenk technique; chemoselective reaction; | 94% |
| With ammonia In tetrahydrofuran at 30℃; under 3750.38 - 6750.68 Torr; for 30h; Temperature; Pressure; Autoclave; Inert atmosphere; |
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
- 121219-16-7
(2,3-difluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; palladium diacetate In toluene at 90℃; for 16h; Suzuki-Miyaura coupling; | 96% |
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With tris(dibenzylideneacetone)dipalladium (0); ruphos In tetrahydrofuran at 70℃; for 15h; Negishi coupling; | 92% |
- 124-42-5
acetamidine hydrochloride
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With water; caesium carbonate In dimethyl sulfoxide at 90℃; for 18h; Schlenk technique; chemoselective reaction; | 92% |
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
- 80194-70-3
3-chloro-2-cyano-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| With potassium cyanide; Aliquat 336 In water at 30℃; for 5h; | 90% |
| With sodium cyanide; tetrabutylammomium bromide at 20 - 25℃; for 23h; | 82% |
- 773837-37-9
sodium cyanide
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
- 80194-70-3
3-chloro-2-cyano-5-(trifluoromethyl)pyridine
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluoro-3-chloro-5-(trifluoromethyl)pyridine With dmap In acetone for 5h; Reflux; Large scale; Stage #2: sodium cyanide In chloroform; water at 20℃; for 2.5h; Large scale; | 89% |
| dmap In water; propiononitrile at 20℃; for 5h; | 83% |
| With tetrabutylammomium bromide In water; dimethyl sulfoxide at 45 - 50℃; Concentration; | 74.3% |
| With N-benzyl-N,N,N-triethylammonium chloride at 20℃; for 10h; Temperature; | 46.7 g |
- 22300-52-3
4,5-dibromo-2H-1,2,3-triazole
- 72537-17-8
2-fluoro-3-chloro-5-(trifluoromethyl)pyridine
- 1192847-40-7
C8H2Br2ClF3N4
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 90℃; regioselective reaction; | 89% |
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Chemistry
Molecular Structure of 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS No.72537-17-8):
Molecular Formula: C6H2ClF4N
Molecular Weight: 199.533393
CAS No: 72537-17-8
IUPAC Name: 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 12.89 Å2
Index of Refraction: 1.43
Molar Refractivity: 34.213 cm3
Molar Volume: 132.328 cm3
Surface Tension: 26.993 dyne/cm
Density: 1.508 g/cm3
Flash Point: 47.662 °C
Enthalpy of Vaporization: 37.58 kJ/mol
Boiling Point: 155.197 °C at 760 mmHg
Vapour Pressure: 3.944 mmHg at 25°C
InChI: InChI=1/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
InChIKey: GDSROTVTTLUHCO-UHFFFAOYAN
Std. InChI: InChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
Std. InChIKey: GDSROTVTTLUHCO-UHFFFAOYSA-N
Product Categories: Pyridines, Pyrimidines, Purines and Pteredines;Halides;Pyridines;C6Heterocyclic Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 10-36/37/38
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 1993 3/PG 3
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 3.2
PackingGroup: III
Specification
3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine (CAS No.72537-17-8), its synonyms are Pyridine, 3-chloro-2-fluoro-5-(trifluoromethyl)- ; 2-Fluoro-3-chloro-5-(trifluoromethyl)pyridine