Basic Information | Post buying leads | Suppliers |
Name |
[1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl- |
EINECS | N/A |
CAS No. | 133792-15-1 | Density | 1.126 g/cm3 |
PSA | 23.79000 | LogP | 5.45468 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H17N | Boiling Point | 416.324 °C at 760 mmHg |
Molecular Weight | 283.37 | Flash Point | 206.944 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2CT;4-CYANO-4-ETHYL-P,P-TERPHENYL;4-N-ETHYL-1,1:4,1-TERPHENYL-4-CARBONITRILE;4-cyano-4-ethylterphenyl |
The [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-, with CAS registry number 133792-15-1, has the systematic name of 4-(4-ethylphenyl)-3-phenyl-benzonitrile. Besides this, it is also called 4-Cyano-4'-ethyl-p,p-terphenyl. And the chemical formula of this chemical is C21H17N.
Physical properties of [1,1':4',1''-Terphenyl]-4-carbonitrile,4''-ethyl-: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.521; (4)ACD/LogD (pH 7.4): 5.521; (5)ACD/BCF (pH 5.5): 9245.334; (6)ACD/BCF (pH 7.4): 9245.334; (7)ACD/KOC (pH 5.5): 24010.285; (8)ACD/KOC (pH 7.4): 24010.285; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 89.986 cm3; (15)Molar Volume: 251.604 cm3; (16)Polarizability: 35.673×10-24cm3; (17)Surface Tension: 51.948 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 206.944 °C; (20)Enthalpy of Vaporization: 66.954 kJ/mol; (21)Boiling Point: 416.324 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccc(cc1)c2ccc(cc2c3ccccc3)C#N
(2)InChI: InChI=1/C21H17N/c1-2-16-8-11-19(12-9-16)20-13-10-17(15-22)14-21(20)18-6-4-3-5-7-18/h3-14H,2H2,1H3
(3)InChIKey: YPKJRPLDMZZFRG-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C21H17N/c1-2-16-8-11-19(12-9-16)20-13-10-17(15-22)14-21(20)18-6-4-3-5-7-18/h3-14H,2H2,1H3
(5)Std. InChIKey: YPKJRPLDMZZFRG-UHFFFAOYSA-N