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CAS No.: | 10177-10-3 |
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Name: | 2-CHLORO-5-PHENYLNICOTINONITRILE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C12H7ClN2 |
Molecular Weight: | 214.654 |
Synonyms: | 3-Pyridinecarbonitrile, 2-chloro-5-phenyl-; |
Density: | 1.3 g/cm3 |
Melting Point: | 143-147 °C |
Boiling Point: | 376.2 °C at 760 mmHg |
Flash Point: | 181.3 °C |
PSA: | 36.68000 |
LogP: | 3.27368 |
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The 2-Chloro-5-phenyl-pyridine-3-carbonitrile, with the CAS registry number 10177-10-3, is also known as 3-Pyridinecarbonitrile, 2-chloro-5-phenyl-. This chemical's molecular formula is C12H7ClN2 and molecular weight is 214.65. What's more, its IUPAC name is 2-Chloro-5-phenylpyridine-3-carbonitrile. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about 2-Chloro-5-phenyl-pyridine-3-carbonitrile are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.69; (4)ACD/LogD (pH 7.4): 3.69; (5)ACD/BCF (pH 5.5): 374.05; (6)ACD/BCF (pH 7.4): 374.05; (7)ACD/KOC (pH 5.5): 2417.15; (8)ACD/KOC (pH 7.4): 2417.15; (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: 1.632; (14)Molar Refractivity: 58.65 cm3; (15)Molar Volume: 164.2 cm3; (16)Polarizability: 23.25×10-24 cm3; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 181.3 °C; (20)Enthalpy of Vaporization: 62.38 kJ/mol; (21)Boiling Point: 376.2 °C at 760 mmHg; (22)Vapour Pressure: 7.36E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(cnc1Cl)c2ccccc2
(2) InChI: InChI=1/C12H7ClN2/c13-12-10(7-14)6-11(8-15-12)9-4-2-1-3-5-9/h1-6,8H
(3) InChIKey: DBOYDCQWVLJOJG-UHFFFAOYAE