| Identification | More | [Name]
2,3-Dichloro-5-(trifluoromethyl)pyridine | [CAS]
69045-84-7 | [Synonyms]
2,3,5-DCTF
2,3-DICHLORO-5-(TRIFLUOROMETHYL)PYRIDINE
AKOS BBS-00006992
BUTTPARK 45\10-37
TIMTEC-BB SBB006729
2,3-Dichloro-5-(Trifluoromethy
2,3-DICHLORO-5-(TRIFLUOROMETHY)PYRIDINE
2,3-Dichloro-5-(trifluoromethyl)pyridine ,98% | [EINECS(EC#)]
410-340-5 | [Molecular Formula]
C6H2Cl2F3N | [MDL Number]
MFCD00042243 | [Molecular Weight]
215.99 | [MOL File]
69045-84-7.mol |
| Chemical Properties | Back Directory | [Appearance]
Light yellow liquid | [Melting point ]
8-9 °C
| [Boiling point ]
80 °C20 mm Hg(lit.)
| [density ]
1.549 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.475(lit.)
| [Fp ]
175 °F
| [storage temp. ]
Inert atmosphere,2-8°C | [solubility ]
soluble in Chloroform, Methanol | [form ]
Liquid | [pka]
-3.34±0.10(Predicted) | [color ]
Clear colorless to yellow | [Specific Gravity]
1.549 | [Detection Methods]
GC,NMR | [InChI]
InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H | [InChIKey]
ABNQGNFVSFKJGI-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C(C(F)(F)F)C=C1Cl | [CAS DataBase Reference]
69045-84-7(CAS DataBase Reference) | [EPA Substance Registry System]
69045-84-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N,Xi | [Risk Statements ]
R20/22:Harmful by inhalation and if swallowed .
R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24:Avoid contact with skin .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 3082 9/PG 3
| [WGK Germany ]
2
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
9 | [HazardClass ]
IRRITANT | [PackingGroup ]
III | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow liquid | [Uses]
2,3-Dichloro-5-(trifluoromethyl)pyridine is a reactant that has been used in the synthesis of a 17b-HSD1 inhibitor. | [General Description]
2,3-Dichloro-5-(trifluoromethyl)pyridine is reported as an intermediate of herbicide. Synthesis of 2,3-dichloro-5-(trifluoromethyl)pyridine has been reported. Palladium-catalyzed monoalkoxycarbonylation of 2,3-dichloro-5-(trifluoromethyl)pyridine has been reported. | [Synthesis]
General procedure for the synthesis of 2,3-dichloro-5-trichloromethylpyridine from 2,3-dichloro-5-trichloromethylpyridine: 26.5 g (0.1 mol) of 2,3-dichloro-5-trichloromethylpyridine and 0.2 g of tungsten hexachloride were added to a reactor, which was heated to 170 °C under atmospheric pressure. Subsequently, about 20 g of hydrogen fluoride was slowly added. The reaction was terminated when the composition of the reaction product no longer changed. The unreacted hydrogen fluoride was recovered by condensation and the generated hydrogen chloride was removed by absorption. The reaction solution was cooled to room temperature and then transferred to an autoclave, heated to 180°C, maintained at a pressure of 0.2 MPa, and reacted for 5 hours. After completion of the reaction, the reaction mixture was cooled and sampled for analysis. The results showed that the product contained 94% of 2,3-dichloro-5-trifluoromethylpyridine and 92% purity. | [References]
[1] Patent: CN106397309, 2017, A. Location in patent: Paragraph 0023; 0024; 0025; 0025; 0026-0030
[2] Heterocycles, 1984, vol. 22, # 1, p. 117 - 124
[3] Patent: WO2014/198278, 2014, A1. Location in patent: Page/Page column 8; 9; 12
[4] Patent: CN104557683, 2016, B. Location in patent: Paragraph 0021; 0022
[5] Patent: US4590279, 1986, A |
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