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CAS No.: | 78846-88-5 |
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Name: | CHEMPACIFIC 38158 |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H5Cl2N |
Molecular Weight: | 162.018 |
Synonyms: | Pyridine, 2-chloro-6-(chloromethyl)-; |
EINECS: | 251-156-6 |
Density: | 1.325 g/cm3 |
Boiling Point: | 227.871 °C at 760 mmHg |
Flash Point: | 113.448 °C |
PSA: | 12.89000 |
LogP: | 2.47380 |
The 2-Chloro-6-(chloromethyl)pyridine, with the CAS registry number 78846-88-5, is also known as Pyridine, 2-chloro-6-(chloromethyl)-. This chemical's molecular formula is C6H5Cl2N and molecular weight is 162.02. What's more, its systematic name is 2-Chloro-6-(chloromethyl)pyridine.
Physical properties about 2-Chloro-6-(chloromethyl)pyridine are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 192; (8)ACD/KOC (pH 7.4): 192; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 39.005 cm3; (15)Molar Volume: 122.303 cm3; (16)Polarizability: 15.463×10-24 cm3; (17)Surface Tension: 42.647 dyne/cm; (18)Density: 1.325 g/cm3; (19)Flash Point: 113.448 °C; (20)Enthalpy of Vaporization: 44.557 kJ/mol; (21)Boiling Point: 227.871 °C at 760 mmHg; (22)Vapour Pressure: 0.114 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1cccc(Cl)n1
(2) InChI: InChI=1/C6H5Cl2N/c7-4-5-2-1-3-6(8)9-5/h1-3H,4H2
(3) InChIKey: VHKDPJQJCMVQFZ-UHFFFAOYAG