4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon supplier

Name
4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon
EINECS
CAS No. 147622-85-3
Density 1.144 g/cm³
Solubility
Melting Point 75.0 to 79.0 °C
Formula C₁₈H₂₂F₂O
Boiling Point 386.715 °C at 760 mmHg
Molecular Weight 292.369
Flash Point 147.52 °C
Transport Information
Appearance White solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4'-(3,4-Difluorophenyl)bi(cyclohexan)-4-one;trans(3.4-Difluorophenyl)-cyclohexyl-cyclohexanon;
PSA 17.07000
LogP 4.99790

4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon Specification

The 4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon, with the CAS registry number 147622-85-3, is also known as trans(3.4-Difluorophenyl)-cyclohexyl-cyclohexanon. This chemical's molecular formula is C₁₈H₂₂F₂O and molecular weight is 292.36. What's more, its systematic name is 4'-(3,4-Difluorophenyl)-1,1'-bi(cyclohexyl)-4-one.

Physical properties of 4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2120.44; (6)ACD/BCF (pH 7.4): 2120.44; (7)ACD/KOC (pH 5.5): 8368.58; (8)ACD/KOC (pH 7.4): 8368.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 77.947 cm³; (15)Molar Volume: 255.659 cm³; (16)Polarizability: 30.901×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.144 g/cm³; (19)Flash Point: 147.52 °C; (20)Enthalpy of Vaporization: 63.569 kJ/mol; (21)Boiling Point: 386.715 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1F)C2CCC(CC2)C3CCC(=O)CC3
(2)Std. InChI: InChI=1S/C18H22F2O/c19-17-10-7-15(11-18(17)20)14-3-1-12(2-4-14)13-5-8-16(21)9-6-13/h7,10-14H,1-6,8-9H2
(3)Std. InChIKey: IUJMYVYPSSBPCX-UHFFFAOYSA-N

Product Name

4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon

4-[4-trans-(3,4-Diflourphenyl)-cyclohexyl]-cyclohexanon Specification

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