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| CAS No.: | 156072-86-5 |
|---|---|
| Name: | 5-bromo-3-methylpicolinonitrile |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C7H5BrN2 |
| Molecular Weight: | 197.032 |
| Synonyms: | 查看更多英文别名"> 5-bromo-3-methyl-2-pyridinecarbonitrile;5-bromo-3-methyl-2-cyanopyridine;5-bromo-3-methylpicolinenitrile;5-bromo-3-methylpicolinonitrile;5-Bromo-2-cyano-3-methylpyridine;5-bromo-2-cyano-3-picoline;查看更多英文别名 |
| Density: | 1.61 g/cm3 |
| Boiling Point: | 283.6 °C at 760 mmHg |
| Flash Point: | 125.3 °C |
| PSA: | 36.68000 |
| LogP: | 2.02418 |
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Specification
The 2-Pyridinecarbonitrile,5-bromo-3-methyl- is an organic compound with the formula C7H5BrN2. The systematic name of this chemical is 5-Bromo-3-methylpyridine-2-carbonitrile. With the CAS registry number 156072-86-5, it is also named as 2-Cyano-3-methyl-5-bromopyridine. Besides, its molecular weight is 197.032.
The physical properties of this chemical are: (1)ACD/LogP: 1.99; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 1.99; (4)ACD/BCF (pH 5.5): 19.05; (5)ACD/BCF (pH 7.4): 19.05; (6)ACD/KOC (pH 5.5): 286.91; (7)ACD/KOC (pH 7.4): 286.91; (8)#H bond acceptors: 2; (9)Polar Surface Area: 36.68 Å2; (10)Index of Refraction: 1.594; (11)Molar Refractivity: 41.46 cm3; (12)Molar Volume: 122.1 cm3; (13)Polarizability: 16.43×10-24 cm3; (14)Surface Tension: 58.6 dyne/cm; (15)Density: 1.61 g/cm3; (16)Flash Point: 125.3 °C; (17)Enthalpy of Vaporization: 52.25 kJ/mol; (18)Boiling Point: 283.6 °C at 760 mmHg; (19)Vapour Pressure: 0.00313 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(Br)cnc1C#N
(2)InChI: InChI=1/C7H5BrN2/c1-5-2-6(8)4-10-7(5)3-9/h2,4H,1H3
(3)InChIKey: YPCLLVYLWXIIBW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H5BrN2/c1-5-2-6(8)4-10-7(5)3-9/h2,4H,1H3
(5)Std. InChIKey: YPCLLVYLWXIIBW-UHFFFAOYSA-N