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Name |
2-Pyridinecarbonitrile,3-bromo-6-methyl- |
EINECS | N/A |
CAS No. | 717843-48-6 | Density | 1.613 g/cm3 |
PSA | 36.68000 | LogP | 2.02418 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5BrN2 | Boiling Point | 299.304 °C at 760 mmHg |
Molecular Weight | 197.034 | Flash Point | 134.815 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Bromo-6-methylpyridine-1-oxide; |
Article Data | 8 |
This chemical is called 2-Pyridinecarbonitrile,3-bromo-6-methyl-, and its systematic name is 3-Bromo-6-methylpyridine-2-carbonitrile. With the molecular formula of C7H5BrN2, its molecular weight is 197.03. The CAS registry number of this chemical is 717843-48-6.
Other characteristics of the 2-Pyridinecarbonitrile,3-bromo-6-methyl- can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 226; (8)ACD/KOC (pH 7.4): 226; (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: 1.594; (14)Molar Refractivity: 41.463 cm3; (15)Molar Volume: 122.129 cm3; (16)Polarizability: 16.437×10-24cm3; (17)Surface Tension: 58.601 dyne/cm; (18)Density: 1.613 g/cm3; (19)Flash Point: 134.815 °C; (20)Enthalpy of Vaporization: 53.929 kJ/mol; (21)Boiling Point: 299.304 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(C)nc1C#N
2.InChI: InChI=1/C7H5BrN2/c1-5-2-3-6(8)7(4-9)10-5/h2-3H,1H3
3.InChIKey: ARSYSTQQVJUEBW-UHFFFAOYAE