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| CAS No.: | 73998-96-6 |
|---|---|
| Name: | 2,4-DICHLORO-5-(CHLOROMETHYL)-PYRIDINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C6H4Cl3N |
| Molecular Weight: | 196.46 |
| Synonyms: | 2,4-Dichloro-5-chloromethylpyridine; |
| Density: | 1.463 g/cm3 |
| Boiling Point: | 273.8 °C at 760 mmHg |
| Flash Point: | 145.7 °C |
| PSA: | 12.89000 |
| LogP: | 3.12720 |
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- Total:23 Page 1 of 1 1
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Specification
The Pyridine, 2, 4-dichloro-5-(chloromethyl)- has CAS registry number 73998-96-6. This chemical's molecular formula is C6H4Cl3N and molecular weight is 196.46. What's more, its systematic name is 2, 4-Dichloro-5-(chloromethyl)pyridine.
Physical properties about Pyridine, 2, 4-dichloro-5-(chloromethyl)- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.12; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 24.25; (6)ACD/BCF (pH 7.4): 24.25; (7)ACD/KOC (pH 5.5): 341.05; (8)ACD/KOC (pH 7.4): 341.05; (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: 17.4×10-24 cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.463 g/cm3; (19)Flash Point: 145.7 °C; (20)Enthalpy of Vaporization: 49.15 kJ/mol; (21)Boiling Point: 273.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00942 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cnc(Cl)c1)CCl
(2) InChI: InChI=1/C6H4Cl3N/c7-2-4-3-10-6(9)1-5(4)8/h1,3H,2H2
(3) InChIKey: PZHIYZLLIBBPFK-UHFFFAOYAH