1,2,3-Trifluoro-5-(4-(2-(4-ethylcyclohexyl)ethyl)cyclohexyl)benzene supplier

Name
1,2,3-Trifluoro-5-(4-(2-(4-ethylcyclohexyl)ethyl)cyclohexyl)benzene
EINECS
CAS No. 137529-57-8
Article Data2
CAS DataBase
Density 1.034 g/cm³
Solubility
Melting Point
Formula C₂₂H₃₁F₃
Boiling Point 397.5 °C at 760 mmHg
Molecular Weight 352.483
Flash Point 224.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,5-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluoro-,[trans(trans)]-;5-{4-[2-(4-Ethylcyclohexyl)ethyl]cyclohexyl}-1,2,3-trifluorobenzene;Benzene,5-[trans-4-[2-(trans-4-ethylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluoro-;
PSA 0.00000
LogP 7.37430

1,2,3-Trifluoro-5-(4-(2-(4-ethylcyclohexyl)ethyl)cyclohexyl)benzene Specification

The Benzene,5-[trans-4-[2-(trans-4-ethylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluoro- with CAS registry number of 137529-57-8 is also known as 1,2,3-Trifluoro-5-(4-(2-(4-ethylcyclohexyl)ethyl)cyclohexyl)benzene. The systematic name is 5-{4-[2-(4-Ethylcyclohexyl)ethyl]cyclohexyl}-1,2,3-trifluorobenzene. In addition, the formula is C₂₂H₃₁F₃ and the molecular weight is 352.48.

Physical properties about Benzene,5-[trans-4-[2-(trans-4-ethylcyclohexyl)ethyl]cyclohexyl]-1,2,3-trifluoro- are: (1)ACD/LogP: 9.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.39; (4)ACD/LogD (pH 7.4): 9.39; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3050089.25; (8)ACD/KOC (pH 7.4): 3050089.25; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.477; (11)Molar Refractivity: 96.43 cm³; (12)Molar Volume: 340.8 cm³; (13)Surface Tension: 32.8 dyne/cm; (14)Density: 1.034 g/cm³; (15)Flash Point: 224.8 °C; (16)Enthalpy of Vaporization: 62.27 kJ/mol; (17)Boiling Point: 397.5 °C at 760 mmHg; (18)Vapour Pressure: 3.62E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: Fc1cc(cc(F)c1F)C3CCC(CCC2CCC(CC2)CC)CC3
2. InChI: InChI=1/C22H31F3/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-13-20(23)22(25)21(24)14-19/h13-18H,2-12H2,1H3
3. InChIKey: SOLQDJUTBJEPAR-UHFFFAOYAB
4. Std. InChI: InChI=1S/C22H31F3/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-13-20(23)22(25)21(24)14-19/h13-18H,2-12H2,1H3
5. Std. InChIKey: SOLQDJUTBJEPAR-UHFFFAOYSA-N

Product Name

1,2,3-Trifluoro-5-(4-(2-(4-ethylcyclohexyl)ethyl)cyclohexyl)benzene

1,2,3-Trifluoro-5-(4-(2-(4-ethylcyclohexyl)ethyl)cyclohexyl)benzene Specification

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