4-(4-Ethylcyclohexyl)benzonitrile supplier

Name
4-(4-ETHYLCYCLOHEXYL)BENZONITRILE
EINECS 277-084-2
CAS No. 73592-81-1
Density 0.998 g/cm³
Solubility
Melting Point 41 °C
Formula C₁₅H₁₉N
Boiling Point 336.827 °C at 760 mmHg
Molecular Weight 213.32
Flash Point 158.222 °C
Transport Information
Appearance Liquid Crystals
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms p-(4-Ethylcyclohexyl)benzonitrile;
PSA 23.79000
LogP 4.24208

4-(4-Ethylcyclohexyl)benzonitrile Specification

4-(4-Ethylcyclohexyl)benzonitrile, with the CAS registry number 73592-81-1, is also named as p-(4-Ethylcyclohexyl)benzonitrile. It belongs to the product categories of Cyclohexyl phenyl compounds; Benzonitriles (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials. This chemical's molecular formula is C₁₅H₁₉N and molecular weight is 213.32. What's more, its systematic name is 4-(4-Ethylcyclohexyl)benzonitrile.

Physical properties of 4-(4-Ethylcyclohexyl)benzonitrile are: (1)ACD/LogP:; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.25; (4)ACD/LogD (pH 7.4): 5.25; (5)ACD/BCF (pH 5.5): 5705.75; (6)ACD/BCF (pH 7.4): 5705.75; (7)ACD/KOC (pH 5.5): 16996.54; (8)ACD/KOC (pH 7.4): 16996.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 66.274 cm³; (15)Molar Volume: 213.651 cm³; (16)Polarizability: 26.273×10^-24cm³; (17)Surface Tension: 40.3 dyne/cm; (18)Density: 0.998 g/cm³; (19)Flash Point: 158.222 °C; (20)Enthalpy of Vaporization: 58.002 kJ/mol; (21)Boiling Point: 336.827 °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#Cc1ccc(cc1)C2CCC(CC)CC2
(2)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
(3)Std. InChIKey: BBHJTCADCKZYSO-UHFFFAOYSA-N

Product Name

4-(4-ETHYLCYCLOHEXYL)BENZONITRILE

4-(4-Ethylcyclohexyl)benzonitrile Specification

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