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2-Pyridinecarbonitrile,5-bromo-3-methoxy-

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Name

2-Pyridinecarbonitrile,5-bromo-3-methoxy-

EINECS N/A
CAS No. 36057-46-2 Density 1.65 g/cm3
PSA 45.91000 LogP 1.72438
Solubility N/A Melting Point N/A
Formula C7H5BrN2O Boiling Point 310.9 °C at 760 mmHg
Molecular Weight 213.033 Flash Point 141.9 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 36057-46-2 (5-Bromo-3-Methoxy-Pyridine2-Carbonitrile) Hazard Symbols T
Synonyms

5-Bromo-3-Methoxy-Pyridine2-Carbonitrile;5-Bromo-3-methoxypicolinonitrile

Article Data 10

2-Pyridinecarbonitrile,5-bromo-3-methoxy- 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

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