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trans-4-(4-Ethylcyclohexyl)benzonitrile

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Name

trans-4-(4-Ethylcyclohexyl)benzonitrile

EINECS 277-084-2
CAS No. 72928-54-2 Density 0.99 g/cm3
PSA 23.79000 LogP 4.24208
Solubility N/A Melting Point 41℃
Formula C15H19N Boiling Point 336.8 °C at 760 mmHg
Molecular Weight 213.32 Flash Point 158.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 72928-54-2 (trans-4-(4-Ethylcyclohexyl)benzonitrile) Hazard Symbols N/A
Synonyms

Benzonitrile,4-(4-ethylcyclohexyl)-, trans-;PCH 2;S 1236;trans-4-Ethyl(4-cyanophenyl)cyclohexane;trans-4-Ethyl(4'-cyanophenyl)cyclohexane;

 

trans-4-(4-Ethylcyclohexyl)benzonitrile Specification

The trans-4-(4-Ethylcyclohexyl)benzonitrile is an organic compound with the formula C15H19N. The IUPAC name of this chemical is 4-(4-ethylcyclohexyl)benzonitrile. With the CAS registry number 72928-54-2, it is also named as Benzonitrile, 4-(trans-4-ethylcyclohexyl)-. Besides, it is an intermediate of liquid crystals.

Physical properties about this chemical are: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 5254.34; (6)ACD/BCF (pH 7.4): 5254.34; (7)ACD/KOC (pH 5.5): 16022.83; (8)ACD/KOC (pH 7.4): 16022.83; (9)#H bond acceptors: 1; (10)Polar Surface Area: 23.79 Å2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 66.27 cm3; (14)Molar Volume: 213.6 cm3; (15)Polarizability: 26.27×10-24cm3; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 0.99 g/cm3; (18)Flash Point: 158.2 °C; (19)Enthalpy of Vaporization: 58 kJ/mol; (20)Boiling Point: 336.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000109 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)C2CCC(CC)CC2
(2)InChI: InChI=1/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
(3)InChIKey: BBHJTCADCKZYSO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C15H19N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h5-6,9-10,12,14H,2-4,7-8H2,1H3
(5)Std. InChIKey: BBHJTCADCKZYSO-UHFFFAOYSA-N

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