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

Name
5-Bromo-3-Methoxy-Pyridine2-Carbonitrile
EINECS
CAS No. 36057-46-2
Article Data10
CAS DataBase
Density 1.65 g/cm³
Solubility
Melting Point
Formula C₇H₅BrN₂O
Boiling Point 310.9 °C at 760 mmHg
Molecular Weight 213.033
Flash Point 141.9 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 5-Bromo-3-Methoxy-Pyridine2-Carbonitrile;5-Bromo-3-methoxypicolinonitrile
PSA 45.91000
LogP 1.72438

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

Product Name

5-Bromo-3-Methoxy-Pyridine2-Carbonitrile

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

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