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CAS No.: | 55304-75-1 |
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Name: | 2,6-Dichloro-3-(trifluoromethyl)pyridine |
Molecular Structure: | |
Formula: | C6H2Cl2F3N |
Molecular Weight: | 215.99 |
Synonyms: | 2,6-dichloronicotinonitrile;2,6-dichloro-5-trifluoromethylpyridine;2,5-DIBENZYL-6A-METHYL-HEXAHYDRO-PENTALENE-3A-CARBOXYLIC ACID ETHYL ESTER; |
EINECS: | 259-585-8 |
Density: | 1.542 g/cm3 |
Melting Point: | 194 °C |
Boiling Point: | 221 °C at 760 mmHg |
Flash Point: | 87.5 °C |
Appearance: | COLORLESS TO YELLOW LIQUID |
Hazard Symbols: | T,Xi |
Risk Codes: | 25-36/37/38 |
Safety: | 26-36/37-45 |
Transport Information: | UN 2810 6.1/PG 3 |
PSA: | 12.89000 |
LogP: | 3.40720 |
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The 2,6-Dichloro-3-(trifluoromethyl)pyridine, with the CAS registry number 55304-75-1 and EINECS registry number 259-585-8, has the systematic name of 2,6-Dichloro-3-trifluoromethylpyridine. And the molecular formula of this chemical is C6H2Cl2F3N. It belongs to the following product categories: Pyridine; C6; Heterocyclic Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyridines.
The physical properties of 2,6-Dichloro-3-(trifluoromethyl)pyridine are as following: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 88.6; (6)ACD/BCF (pH 7.4): 88.6; (7)ACD/KOC (pH 5.5): 862.17; (8)ACD/KOC (pH 7.4): 862.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 39.11 cm3; (15)Molar Volume: 140 cm3; (16)Polarizability: 15.5×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 1.542 g/cm3; (19)Flash Point: 87.5 °C; (20)Enthalpy of Vaporization: 43.89 kJ/mol; (21)Boiling Point: 221 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25°C.
Uses of 2,6-Dichloro-3-(trifluoromethyl)pyridine: It can react with dibenzylamine to produce dibenzyl-(6-chloro-5-trifluoromethyl-pyridin-2-yl)-amine. This reaction will need reagents Et3N and 1-methyl-2-pyrrolidone. The reaction time is 8.5 hours with temperature of 120°C, and the yield is about 89%.
You should be cautious while dealing with this chemical. It is toxic if swallowed, and irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(Cl)nc1Cl
(2)InChI: InChI=1/C6H2Cl2F3N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H
(3)InChIKey: UPWAAFFFSGQECJ-UHFFFAOYAS