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CAS No.: | 55422-79-2 |
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Name: | 2,6-bis(chloromethyl)pyridine |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H8Cl3N |
Molecular Weight: | 212.506 |
Synonyms: | Pyridine,2,6-bis(chloromethyl)-, hydrochloride (9CI);2,6-Bis(chloromethyl)pyridine hydrochloride;2,6-Dichloromethylpyridine hydrochloride;NSC244971; |
Density: | 1.275 g/cm3 |
Melting Point: | 73-78ºC(lit.) |
Boiling Point: | 286.8 °C at 760 mmHg |
Flash Point: | 127.2 °C |
Hazard Symbols: | Xn |
PSA: | 12.89000 |
LogP: | 3.36120 |
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The Pyridine,2,6-bis(chloromethyl)-, hydrochloride (1:1), with the CAS registry number 55422-79-2, is also known as 2,6-Dichloromethylpyridine hydrochloride. This chemical's molecular formula is C7H8Cl3N and molecular weight is 212.50. What's more, its systematic name is 2,6-Bis(chloromethyl)pyridine hydrochloride.
Physical properties of Pyridine,2,6-bis(chloromethyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 12.89 Å2; (7)Flash Point: 127.2 °C; (8)Enthalpy of Vaporization: 53.65 kJ/mol; (9)Boiling Point: 286.8 °C at 760 mmHg; (10)Vapour Pressure: 0.00197 mmHg at 25°C.
Uses of Pyridine,2,6-bis(chloromethyl)-, hydrochloride (1:1): it can be used to produce 2,6-Bis(benzimidazol-2'-ylthiomethyl)pyridine. It will need reagent NaOH and solvent ethanol. The yield is about 72%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC(=C1)CCl)CCl.Cl
(2)InChI: InChI=1S/C7H7Cl2N.ClH/c8-4-6-2-1-3-7(5-9)10-6;/h1-3H,4-5H2;1H
(3)InChIKey: FGBGOYAWNBDXCH-UHFFFAOYSA-N