| Identification | More | [Name]
2-Chloro-3-(trifluoromethyl)pyridine | [CAS]
65753-47-1 | [Synonyms]
2,3-ctf
2-CHLORO-3-(TRIFLUOROMETHYL)PYRIDINE
BUTTPARK 45\10-29
PYRIDINE, 2-CHLORO-3-(TRIFLUOROMETHYL)-
2-Chloro-3-trifuoromethylpyridine
2-CHLORO-3-(TRIFLUOROMETHYL)PYRIDINE, 97
2-Chloro-3-(trifluoromethyl)pyridine 95%
2-Chloro-3-(trifluoromethyl)pyridine99%
2-Chloro-3-Trifluoromethylpyridine ,98% | [EINECS(EC#)]
424-520-6 | [Molecular Formula]
C6H3ClF3N | [MDL Number]
MFCD00042223 | [Molecular Weight]
181.54 | [MOL File]
65753-47-1.mol |
| Chemical Properties | Back Directory | [Appearance]
semi-transparent crystals | [Melting point ]
36-40 °C(lit.)
| [Boiling point ]
166-168°C | [density ]
1.416±0.06 g/cm3(Predicted) | [Fp ]
180 °F
| [storage temp. ]
Storage temp. 2-8°C | [solubility ]
soluble in Methanol | [form ]
Crystals | [pka]
-1.68±0.10(Predicted) | [color ]
Semi-transparent | [Detection Methods]
GC | [BRN ]
4179716 | [InChI]
InChI=1S/C6H3ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H | [InChIKey]
RXATZPCCMYMPME-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=CC=C1C(F)(F)F | [CAS DataBase Reference]
65753-47-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
F,T,Xi | [Risk Statements ]
R11:Highly Flammable.
R25:Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S22:Do not breathe dust .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2926 4.1/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29333990 | [Storage Class]
6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 3 Oral
Aquatic Chronic 3
Eye Dam. 1
Skin Corr. 1B
STOT RE 1 |
| Hazard Information | Back Directory | [Chemical Properties]
semi-transparent crystals | [Uses]
2-Chloro-3-(trifluoromethyl)pyridine may be used in the preparation of 5,5′-bis(trifluoromethyl)-2,2′-bipyridine, via modified Ullmann reaction. | [General Description]
2-Chloro-3-(trifluoromethyl)pyridine is a trifluoromethyl-substituted pyridine derivative. | [Synthesis]
In a four-necked flask equipped with a stirrer, thermometer and a drying tube, 32.62 g of 3-trifluoromethylpyridine N-oxide (CAS: 22253-72-1) and 46.0 g of phosphorus trichloride were added. The reaction mixture was stirred at 105-110°C for 2 hours. Subsequently, the temperature was raised to 120-125°C and the reaction was continued for 5 hours. The reaction mixture was analyzed by liquid chromatography and confirmed to contain 0.16% of 3-trifluoromethylpyridine N-oxide, 50.34% of 2-chloro-3-trifluoromethylpyridine and 25.34% of 2-chloro-5-trifluoromethylpyridine. The reaction mixture was heated under reduced pressure (100 mmHg) until an internal temperature of 75°C was reached to remove excess TCPO by distillation. The reaction mixture was slowly added to 163.1 g of ice water at a controlled temperature not exceeding 30°C and stirred for 1 hour. The reaction mixture was extracted with 1,2-dichloroethane, stirred for 30 minutes and partitioned. The organic layer was washed with water to give 132.11 g of a 1,2-dichloroethane solution containing 2-chloro-3-trifluoromethylpyridine. Liquid chromatographic analysis showed that the solution contained 13.17 g of 2-chloro-3-trifluoromethylpyridine. | [References]
[1] Patent: US2012/259125, 2012, A1. Location in patent: Page/Page column 3 |
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