| Identification | |
| Name: | [1,1'-Biphenyl]-4-carbonitrile,4'-(trans-4-propylcyclohexyl)- |
| Synonyms: | [1,1'-Biphenyl]-4-carbonitrile,4'-(4-propylcyclohexyl)-, trans-;4-(trans-4-Propylcyclohexyl)-4'-cyanobiphenyl;[1,1'-biphenyl]-4-carbonitrile, 4'-(trans-4-propylcyclohexyl)-; |
| CAS: | 94412-40-5 |
| EINECS: | 305-305-5 |
| Molecular Formula: | C22H25N |
| Molecular Weight: | 303.44 |
| InChI: | InChI=1/C22H25N/c1-2-3-17-4-8-19(9-5-17)21-12-14-22(15-13-21)20-10-6-18(16-23)7-11-20/h6-7,10-15,17,19H,2-5,8-9H2,1H3/t17-,19- |
| Molecular Structure: | ![(C22H25N) [1,1'-Biphenyl]-4-carbonitrile,4'-(4-propylcyclohexyl)-, trans-;4-(trans-4-Propylcyclohexyl)-4'-cyan...](https://img.guidechem.com/structureimg/94412-40-5.gif) |
| Properties | |
| Density: | 1.05 g/cm3 |
| Refractive index: | 1.576 |
| Specification: |
The 4'-(trans-4-Propylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile, with the CAS registry number 94412-40-5 and EINECS registry number 305-305-5, has the systematic name of [1,1'-biphenyl]-4-carbonitrile, 4'-(trans-4-propylcyclohexyl)-. And the molecular formula of the chemical is C22H25N. The characteristics of 4'-(trans-4-Propylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile are as followings: (1)ACD/LogP: 7.37; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.37; (4)ACD/LogD (pH 7.4): 7.37; (5)ACD/BCF (pH 5.5): 234580.39; (6)ACD/BCF (pH 7.4): 234580.39; (7)ACD/KOC (pH 5.5): 243013.08; (8)ACD/KOC (pH 7.4): 243013.08; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 95.61 cm3; (15)Molar Volume: 288.8 cm3; (16)Polarizability: 37.9×10-24cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 230.6 °C; (20)Enthalpy of Vaporization: 71.46 kJ/mol; (21)Boiling Point: 454.9 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-08 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
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