4-Cyano-4'-hexylterphenyl supplier

Name
4-Cyano-4'-hexylterphenyl
EINECS
CAS No. 54211-47-1
Density 1.07 g/cm³
Solubility
Melting Point
Formula C₂₅H₂₅N
Boiling Point 467.3 °C at 760 mmHg
Molecular Weight 339.48
Flash Point 238.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-CYANO-4-HEXYLTERPHENYL;4-Hexyl-[1,1:4,1-terphenyl]-4-carbonitrile
PSA 23.79000
LogP 7.01508

4-Cyano-4'-hexylterphenyl Specification

The 4-Cyano-4'-hexylterphenyl, its CAS registry number is 54211-47-1. This chemical's molecular formula is C₂₅H₂₅N and molecular weight is 339.47. What's more, its systematic name is 4-Hexyl-1,1':2',1''-terphenyl-4'-carbonitrile.

Physical properties about the 4-Cyano-4'-hexylterphenyl are: (1)ACD/LogP: 8.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.35; (4)ACD/LogD (pH 7.4): 8.35; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 829019.63; (8)ACD/KOC (pH 7.4): 829019.63; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 23.79Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 108.51 cm³; (15)Molar Volume: 316.3 cm³; (16)Surface Tension: 48.6 dyne/cm; (17)Density: 1.07 g/cm³; (18)Flash Point: 238.2 °C; (19)Enthalpy of Vaporization: 72.93 kJ/mol; (20)Boiling Point: 467.3 °C at 760 mmHg; (21)Vapour Pressure: 6.57E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:CCCCCCc1ccc(cc1)c3ccc(cc3c2ccccc2)C#N
(2) InChI:InChI=1/C25H25N/c1-2-3-4-6-9-20-12-15-23(16-13-20)24-17-14-21(19-26)18-25(24)22-10-7-5-8-11-22/h5,7-8,10-18H,2-4,6,9H2,1H3
(3) InChIKey:DLMBZNMNMGDYOE-UHFFFAOYAM

Product Name

4-Cyano-4'-hexylterphenyl

4-Cyano-4'-hexylterphenyl Specification

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