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| CAS No.: | 7584-05-6 |
|---|---|
| Name: | 4-Cyano-3-methylpyridine |
| Molecular Structure: | |
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| Formula: | C7H6N2 |
| Molecular Weight: | 118.138 |
| Synonyms: | Isonicotinonitrile,3-methyl- (6CI,7CI,8CI);3-Methyl-4-cyanopyridine;3-Methyl-4-pyridinecarbonitrile;3-Methylisonicotinonitrile;4-Cyano-3-methylpyridine;4-Cyano-3-picoline; |
| EINECS: | 231-491-1 |
| Density: | 1.084 g/cm3 |
| Melting Point: | 51-52oC |
| Boiling Point: | 222.59 °C at 760 mmHg |
| Flash Point: | 89.795 °C |
| PSA: | 36.68000 |
| LogP: | 1.26168 |
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- Total:34 Page 1 of 1 1
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Specification
The 4-Pyridinecarbonitrile,3-methyl- is an organic compound with the formula C7H6N2. The IUPAC name of this chemical is 3-methylpyridine-4-carbonitrile. With the CAS registry number 7584-05-6, it is also named as 4-Cyano-3-methylpyridine.
Physical properties about 4-Pyridinecarbonitrile,3-methyl- are: (1)ACD/LogP: 1.34; (2)ACD/LogD (pH 5.5): 1.339; (3)ACD/LogD (pH 7.4): 1.339; (4)ACD/BCF (pH 5.5): 6.129; (5)ACD/BCF (pH 7.4): 6.132; (6)ACD/KOC (pH 5.5): 127.407; (7)ACD/KOC (pH 7.4): 127.465; (8)#H bond acceptors: 2; (9)Polar Surface Area: 36.68 Å2; (10)Index of Refraction: 1.531; (11)Molar Refractivity: 33.742 cm3; (12)Molar Volume: 108.995 cm3; (13)Polarizability: 13.376×10-24cm3; (14)Surface Tension: 47.969 dyne/cm; (15)Density: 1.084 g/cm3; (16)Flash Point: 89.795 °C; (17)Enthalpy of Vaporization: 45.905 kJ/mol; (18)Boiling Point: 222.59 °C at 760 mmHg; (19)Vapour Pressure: 0.101 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnccc1C#N
(2)InChI: InChI=1/C7H6N2/c1-6-5-9-3-2-7(6)4-8/h2-3,5H,1H3
(3)InChIKey: SFNWPKSTEHBXSY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H6N2/c1-6-5-9-3-2-7(6)4-8/h2-3,5H,1H3
(5)Std. InChIKey: SFNWPKSTEHBXSY-UHFFFAOYSA-N