4-Cyanobiphenyl-4'-propylbenzoate supplier

Name
4-Cyanobiphenyl-4'-propylbenzoate
EINECS
CAS No. 59443-79-7
Density 1.19 g/cm³
Solubility
Melting Point
Formula C₂₃H₁₉NO₂
Boiling Point 524.712 °C at 760 mmHg
Molecular Weight 341.40
Flash Point 265.651 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [4-(4-cyanophenyl)phenyl] 4-propylbenzoate;4-Cyanobiphenyl-4'-propylbenzoate;4-propylbenzoic acid 4'-cyano(1,1'-biphenyl)-4-yl ester;
PSA 50.09000
LogP 5.39698

4-Cyanobiphenyl-4'-propylbenzoate Specification

The Benzoic acid,4-propyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester, with the CAS registry number 59443-79-7, has the systmatic name of [4-(4-cyanophenyl)phenyl] 4-propylbenzoate. And the molecular formula of this chemical is C₂₃H₁₉NO₂. What's more, it is usually used as intermediates of liquid crystals.

The physical properties of Benzoic acid,4-propyl-, 4'-cyano[1,1'-biphenyl]-4-yl ester are as following: (1)ACD/LogP: 5.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.979; (4)ACD/LogD (pH 7.4): 5.979; (5)ACD/BCF (pH 5.5): 20617.803; (6)ACD/BCF (pH 7.4): 20617.803; (7)ACD/KOC (pH 5.5): 42630.527; (8)ACD/KOC (pH 7.4): 42630.527; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 101.107 cm³; (15)Molar Volume: 286.955 cm³; (16)Polarizability: 40.082×10^-24cm³; (17)Surface Tension: 54.911 dyne/cm; (18)Density: 1.19 g/cm³; (19)Flash Point: 265.651 °C; (20)Enthalpy of Vaporization: 79.867 kJ/mol; (21)Boiling Point: 524.712 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCc1ccc(cc1)C(=O)Oc2ccc(cc2)c3ccc(cc3)C#N
(2)InChI: InChI=1/C23H19NO2/c1-2-3-17-4-10-21(11-5-17)23(25)26-22-14-12-20(13-15-22)19-8-6-18(16-24)7-9-19/h4-15H,2-3H2,1H3
(3)InChIKey: IIRLOGPQMLRMIQ-UHFFFAOYAY

Product Name

4-Cyanobiphenyl-4'-propylbenzoate

4-Cyanobiphenyl-4'-propylbenzoate Specification

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