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| CAS No.: | 944317-27-5 |
|---|---|
| Name: | 6-Bromo-3-chloro-2-methyl-pyridine |
| Molecular Structure: | |
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| Formula: | C6H5BrClN |
| Molecular Weight: | 206.469 |
| Synonyms: | 6-Bromo-3-chloro-2-methyl-pyridine; |
| Density: | 1.625 g/cm3 |
| Boiling Point: | 221.763 °C at 760 mmHg |
| Flash Point: | 87.919 °C |
| PSA: | 12.89000 |
| LogP: | 2.80590 |
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Specification
The 6-Bromo-3-chloro-2-methylpyridine has the CAS registry number 944317-27-5. It belongs to the product categories of Pyridine series; API intermediates. This chemical's molecular formula is C6H5BrClN and molecular weight is 206.47. What's more, its systematic name is 6-Bromo-3-chloro-2-methyl-pyridine.
Physical properties of 6-Bromo-3-chloro-2-methylpyridine are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.474; (4)ACD/LogD (pH 7.4): 2.474; (5)ACD/BCF (pH 5.5): 44.694; (6)ACD/BCF (pH 7.4): 44.694; (7)ACD/KOC (pH 5.5): 528.279; (8)ACD/KOC (pH 7.4): 528.279; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 41.754 cm3; (15)Molar Volume: 127.068 cm3; (16)Polarizability: 16.553×10-24 cm3; (17)Surface Tension: 43.022 dyne/cm; (18)Density: 1.625 g/cm3; (19)Flash Point: 87.919 °C; (20)Enthalpy of Vaporization: 43.956 kJ/mol; (21)Boiling Point: 221.763 °C at 760 mmHg; (22)Vapour Pressure: 0.156 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=N1)Br)Cl
(2)InChI: InChI=1S/C6H5BrClN/c1-4-5(8)2-3-6(7)9-4/h2-3H,1H3
(3)InChIKey: PSZRCSVBLJMQLL-UHFFFAOYSA-N