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| CAS No.: | 36057-46-2 |
|---|---|
| Name: | 5-Bromo-3-Methoxy-Pyridine2-Carbonitrile |
| Molecular Structure: | |
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| Formula: | C7H5BrN2O |
| Molecular Weight: | 213.033 |
| Synonyms: | 5-Bromo-3-Methoxy-Pyridine2-Carbonitrile;5-Bromo-3-methoxypicolinonitrile |
| Density: | 1.65 g/cm3 |
| Boiling Point: | 310.9 °C at 760 mmHg |
| Flash Point: | 141.9 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 45.91000 |
| LogP: | 1.72438 |
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Specification
The 2-Pyridinecarbonitrile,5-bromo-3-methoxy- is an organic compound with the formula C7H5BrN2O. The systematic name of this chemical is 5-bromo-3-methoxy-pyridine-2-carbonitrile. With the CAS registry number 36057-46-2, it is also named as 5-Bromo-3-methoxypicolinonitrile.
Physical properties about 2-Pyridinecarbonitrile,5-bromo-3-methoxy- are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.29; (3)ACD/LogD (pH 7.4): 2.29; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.91 Å2; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 43.2 cm3; (9)Molar Volume: 128.5 cm3; (10)Polarizability: 17.12×10-24cm3; (11)Surface Tension: 60.3 dyne/cm; (12)Density: 1.65 g/cm3; (13)Flash Point: 141.9 °C; (14)Enthalpy of Vaporization: 55.18 kJ/mol; (15)Boiling Point: 310.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000581 mmHg at 25°C.
You can still convert the following datas into molecular structure:
SMILES: COc1cc(cnc1C#N)BrCopyCopied
InChI: InChI=1/C7H5BrN2O/c1-11-7-2-5(8)4-10-6(7)3-9/h2,4H,1H3 CopyCopied
InChIKey: WIRVBLLSXJUOHZ-UHFFFAOYAU
Std. InChI: InChI=1S/C7H5BrN2O/c1-11-7-2-5(8)4-10-6(7)3-9/h2,4H,1H3 CopyCopied
Std. InChIKey: WIRVBLLSXJUOHZ-UHFFFAOYSA-N