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CAS No.: | 72648-12-5 |
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Name: | 2-CHLORO-3-TRICHLOROMETHYLPYRIDINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H3F4N |
Molecular Weight: | 230.909 |
Synonyms: | Pyridine, 2-chloro-3-(trichloromethyl)-; |
Density: | 1.582 g/cm3 |
Boiling Point: | 291.5 °C at 760 mmHg |
Flash Point: | 157.7 °C |
PSA: | 12.89000 |
LogP: | 3.56170 |
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The 2-Chloro-3-(trichloromethyl)pyridine with the CAS number 72648-12-5 is also called Pyridine, 2-chloro-3-(trichloromethyl)-. Its molecular formula is C6H3F4N. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 2-Chloro-3-(trichloromethyl)pyridine are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.63; (6)ACD/BCF (pH 7.4): 48.63; (7)ACD/KOC (pH 5.5): 561.21; (8)ACD/KOC (pH 7.4): 561.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 48.27 cm3; (15)Molar Volume: 145.9 cm3; (16)Polarizability: 19.13×10-24cm3; (17)Surface Tension: 46.6 dyne/cm; (18)Enthalpy of Vaporization: 50.96 kJ/mol; (19)Vapour Pressure: 0.0034 mmHg at 25°C.
Uses: This chemical can react with methanol to prepare 2-chloro-3-dimethoxymethyl-6-methoxy-pyridine and 2,6-dimethoxy-pyridine-3-carbaldehyde. This reaction needs reagent sodium at heating condition. The reaction time is 6.0 hours. The yield is 59%.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)c1cccnc1Cl
(2)InChI: InChI=1/C6H3Cl4N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H
(3)InChIKey: TZKVGCQBQQFWOV-UHFFFAOYAT