4'-(trans-4-Propylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile supplier

Name
4'-(trans-4-Propylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile
EINECS 305-305-5
CAS No. 94412-40-5
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₂₂H₂₅N
Boiling Point 454.9 °C at 760 mmHg
Molecular Weight 303.447
Flash Point 230.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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)-;
PSA 23.79000
LogP 6.29918

4'-(trans-4-Propylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile 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:
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)c2ccc(cc2)c3ccc(cc3)C#N
(2)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-
(3)InChIKey: CRCASZFDSWMENA-UAPYVXQJBR

Product Name

4'-(trans-4-Propylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile

4'-(trans-4-Propylcyclohexyl)-[1,1'-biphenyl]-4-carbonitrile Specification

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