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| CAS No.: | 18714-16-4 |
|---|---|
| Name: | 2-CYANO-4-PHENYLPYRIDINE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C12H8N2 |
| Molecular Weight: | 180.209 |
| Synonyms: | Picolinonitrile,4-phenyl- (6CI,8CI);2-Cyano-4-phenylpyridine;4-Phenyl-2-cyanopyridine;2-pyridinecarbonitrile, 4-phenyl-;4-Phenylpyridine-2-carbonitrile; |
| Density: | 1.17 g/cm3 |
| Melting Point: | 97-101 °C |
| Boiling Point: | 342.4 °C at 760 mmHg |
| Flash Point: | 120.1 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| Transport Information: | UN 2811 |
| PSA: | 36.68000 |
| LogP: | 2.62028 |
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- Total:12 Page 1 of 1 1
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Specification
The 2-Pyridinecarbonitrile,4-phenyl-, with the CAS registry number 18714-16-4, has the systematic name of 4-phenylpyridine-2-carbonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C12H8N2.
The physical properties of 2-Pyridinecarbonitrile,4-phenyl- are as following: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 115.02; (6)ACD/BCF (pH 7.4): 115.02; (7)ACD/KOC (pH 5.5): 1039.23; (8)ACD/KOC (pH 7.4): 1039.24; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 53.82 cm3; (15)Molar Volume: 153.2 cm3; (16)Polarizability: 21.33×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.17 g/cm3; (19)Flash Point: 120.1 °C; (20)Enthalpy of Vaporization: 58.62 kJ/mol; (21)Boiling Point: 342.4 °C at 760 mmHg; (22)Vapour Pressure: 7.53E-05 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates respiratory system and skin, and harmful if swallowed. It also has the risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2nccc(c1ccccc1)c2
(2)InChI: InChI=1/C12H8N2/c13-9-12-8-11(6-7-14-12)10-4-2-1-3-5-10/h1-8H
(3)InChIKey: TXLINXBIWJYFNR-UHFFFAOYAD