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| CAS No.: | 82127-26-2 |
|---|---|
| Name: | 2-Bromo-4,6-diphenylnicotinonitrile |
| Molecular Structure: | |
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| Formula: | C18H11BrN2 |
| Molecular Weight: | 335.203 |
| Synonyms: | 3-Pyridinecarbonitrile, 2-bromo-4,6-diphenyl-; |
| Density: | 1.488 g/cm3 |
| Melting Point: | 166-167 °C(Solv: 1-butanol (71-36-3)) |
| Boiling Point: | 467.658 °C at 760 mmHg |
| Flash Point: | 236.631 °C |
| PSA: | 36.68000 |
| LogP: | 5.04978 |
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- Total:20 Page 1 of 1 1
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Specification
2-Bromo-4,6-diphenylnicotinonitrile is an organic compound with the formula C18H11BrN2, and its systematic name is the same with the product name. With the CAS registry number 82127-26-2, it is also named as 3-Pyridinecarbonitrile, 2-bromo-4,6-diphenyl-. In addition, the molecular weight is 335.20.
Physical properties of 2-Bromo-4,6-diphenylnicotinonitrile are: (1)ACD/LogP: 4.576; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.58; (4)ACD/LogD (pH 7.4): 4.58; (5)ACD/BCF (pH 5.5): 1770.23; (6)ACD/BCF (pH 7.4): 1770.23; (7)ACD/KOC (pH 5.5): 7354.22; (8)ACD/KOC (pH 7.4): 7354.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 86.252 cm3; (15)Molar Volume: 225.282 cm3; (16)Polarizability: 34.193×10-24cm3; (17)Surface Tension: 66.67 dyne/cm; (18)Density: 1.488 g/cm3; (19)Flash Point: 236.631 °C; (20)Enthalpy of Vaporization: 72.968 kJ/mol; (21)Boiling Point: 467.658 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(cc(nc1Br)c2ccccc2)c3ccccc3
(2)Std. InChI: InChI=1S/C18H11BrN2/c19-18-16(12-20)15(13-7-3-1-4-8-13)11-17(21-18)14-9-5-2-6-10-14/h1-11H
(3)Std. InChIKey: MHQOWNRJNSJRED-UHFFFAOYSA-N