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| CAS No.: | 101990-72-1 |
|---|---|
| Name: | 2,6-DICHLORO-4-(CHLOROMETHYL)PYRIDINE |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C6H4Cl3N |
| Molecular Weight: | 196.46 |
| Synonyms: | 4-Chloromethyl-2,6-dichloropyridine;2,6-Dichloro-4-(chloromethyl)pyridine; |
| Density: | 1.463 g/cm3 |
| Boiling Point: | 287.4 °C at 760 mmHg |
| Flash Point: | 155 °C |
| Hazard Symbols: | R22:Harmful if swallowed.; R34:Causes burns.; |
| Risk Codes: | C:Corrosive; ">  C:Corrosive; |
| PSA: | 12.89000 |
| LogP: | 3.12720 |
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Specification
The Pyridine, 2,6-dichloro-4-(chloromethyl)-, with the CAS registry number 101990-72-1, is also known as 4-Chloromethyl-2,6-dichloropyridine. It belongs to the product category of Halometyl. This chemical's molecular formula is C6H4Cl3N and molecular weight is 196.46. What's more, its systematic name is 2,6-dichloro-4-(chloromethyl)pyridine.
Physical properties of Pyridine, 2,6-dichloro-4-(chloromethyl)- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.94; (6)ACD/BCF (pH 7.4): 35.94; (7)ACD/KOC (pH 5.5): 451.98; (8)ACD/KOC (pH 7.4): 451.98; (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: 1.567; (14)Molar Refractivity: 43.89 cm3; (15)Molar Volume: 134.2 cm3; (16)Polarizability: 17.4×10-24cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.463 g/cm3; (19)Flash Point: 155 °C; (20)Enthalpy of Vaporization: 50.55 kJ/mol; (21)Boiling Point: 287.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0043 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cc(Cl)nc(Cl)c1
(2)InChI: InChI=1S/C6H4Cl3N/c7-3-4-1-5(8)10-6(9)2-4/h1-2H,3H2
(3)InChIKey: UYBVOPLURVHJOX-UHFFFAOYSA-N