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| CAS No.: | 945557-04-0 |
|---|---|
| Name: | 5-bromo-3-chloropyridine-2-carbonitrile |
| Molecular Structure: | |
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| Formula: | C6H2BrClN2 |
| Molecular Weight: | 217.45 |
| Synonyms: | 5-bromo-3-chloropyridine-2-carbonitrile |
| Density: | 1.854 g/cm3 |
| Boiling Point: | 289.002 °C at 760 mmHg |
| Flash Point: | 128.584 °C |
| PSA: | 36.68000 |
| LogP: | 2.36918 |
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Specification
The 5-Bromo-3-chloropyridine-2-carbonitrile, with the CAS registry number 945557-04-0, is also known as 2-Pyridinecarbonitrile, 5-bromo-3-chloro-. This chemical's molecular formula is C6H2BrClN2 and molecular weight is 154.12. What's more, its systematic name is 5-Bromo-3-chloro-2-pyridinecarbonitrile.
Physical properties of 5-Bromo-3-chloropyridine-2-carbonitrile are: (1)ACD/LogP: 2.286; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.16; (6)ACD/BCF (pH 7.4): 32.16; (7)ACD/KOC (pH 5.5): 417.38; (8)ACD/KOC (pH 7.4): 417.38; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 41.667 cm3; (15)Molar Volume: 117.264 cm3; (16)Polarizability: 16.518×10-24cm3; (17)Surface Tension: 68.0 dyne/cm; (18)Density: 1.854 g/cm3; (19)Flash Point: 128.584 °C; (20)Enthalpy of Vaporization: 52.828 kJ/mol; (21)Boiling Point: 289.002 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(c1Cl)C#N)Br
(2)Std. InChI: InChI=1S/C6H2BrClN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
(3)Std. InChIKey: SIYPZKHSXDFDRA-UHFFFAOYSA-N