| Identification | More | [Name]
3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE | [CAS]
72537-17-8 | [Synonyms]
3-CHLORO-2-FLUORO-5-(TRIFLUOROMETHYL)PYRIDINE
2-FLUORO-3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE | [EINECS(EC#)]
625-955-6 | [Molecular Formula]
C6H2ClF4N | [MDL Number]
MFCD00191918 | [Molecular Weight]
199.53 | [MOL File]
72537-17-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
16-20 °C (lit.) | [Boiling point ]
50-55 °C/11 mmHg (lit.) | [density ]
1.524 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.433(lit.)
| [Fp ]
125 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [form ]
Liquid | [color ]
Colorless | [InChI]
InChI=1S/C6H2ClF4N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H | [InChIKey]
GDSROTVTTLUHCO-UHFFFAOYSA-N | [SMILES]
C1(F)=NC=C(C(F)(F)F)C=C1Cl | [CAS DataBase Reference]
72537-17-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS02,GHS07 | [Signal word ]
Warning | [Hazard statements ]
H226-H315-H319-H335 | [Precautionary statements ]
P210-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R10:Flammable.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
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 | [HS Code ]
29333990 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Uses]
3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine, a halogenated pyridine derivative, is a fluorinated building block. It participates in the synthesis of 2,3-difluoro-5-(trifluoromethyl)pyridine. | [General Description]
3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine, a halogenated pyridine derivative, is a fluorinated building block. It participates in the synthesis of 2,3-difluoro-5-(trifluoromethyl)pyridine. | [Synthesis]
The general procedure for the synthesis of 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine from 2,3-dichloro-5-trifluoromethylpyridine is as follows:
Example 3b.
Equipment: 250 mL four-necked round-bottomed flask equipped with a thermometer, mechanical stirrer, dropping funnel and inert gas inlet.
Operating steps:
1. 25 mL of DMSO was added to a 250 mL four-necked round-bottomed flask, and the solvent was evaporated from a suspension of 150 mL of DMSO, 2.5 g of potassium carbonate (17.9 mmol), and 25.0 g of cesium fluoride (162.9 mmol) at 120 °C and 25-30 mbar pressure.
2. 25.0 g of 2,3-dichloro-5-trifluoromethylpyridine (112.3 mmol) was added to the reaction mixture and the reaction was stirred at 120 °C for 4 hours.
3. After completion of the reaction, the suspension was filtered and the product 3-chloro-2-fluoro-5-(trifluoromethyl)pyridine was distilled directly from the distillate at 95 to 115 °C and 40-60 mbar pressure to obtain the product in quantitative yield.
PRODUCT ANALYSIS: GC analysis showed a product purity of 96.9 area percent. | [References]
[1] Patent: US2008/221327, 2008, A1. Location in patent: Page/Page column 9-10
[2] Patent: US2008/221327, 2008, A1. Location in patent: Page/Page column 6
[3] Patent: CN107286087, 2017, A. Location in patent: Paragraph 0032; 0033
[4] Patent: CN106905231, 2017, A. Location in patent: Paragraph 0077; 0078; 0079; 0080; 0081; 0082; 0083-0085
[5] Patent: EP1199305, 2002, A1. Location in patent: Page 6 |
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