trans,trans-4-(3,4-Difluorophenyl)-4'-vinylbicyclohexyl supplier

Name
trans-4-(3,4-Difluorophenyl)-trans-4'-vinylbicyclohexane
EINECS
CAS No. 142400-92-8
Density 1.087 g/cm³
Solubility
Melting Point 44.0 to 48.0 °C
Formula C₂₀H₂₆F₂
Boiling Point 368.027 °C at 760 mmHg
Molecular Weight 304.42
Flash Point 148.61 °C
Transport Information
Appearance cream
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzene,4-(4'-ethenyl[1,1'-bicyclohexyl]-4-yl)-1,2-difluoro-, [trans(trans)]-;CCG-V-F;trans-4-(3,4-Difluorophenyl)-trans-4'-vinylbicyclohexane;1,2-difluoro-4-[4-(4-vinylcyclohexyl)cyclohexyl]benzene;trans,trans-4-(3,4-Difluorophenyl)-4'-vinylbicyclohexyl;
PSA 0.00000
LogP 6.23100

trans,trans-4-(3,4-Difluorophenyl)-4'-vinylbicyclohexyl Specification

The trans,trans-4-(3,4-Difluorophenyl)-4'-vinylbicyclohexyl, with the CAS registry number 142400-92-8, has the systematic name of 1,2-difluoro-4-[4-(4-vinylcyclohexyl)cyclohexyl]benzene. And the molecular formula of the chemical is C₂₀H₂₆F₂.

The characteristics of trans,trans-4-(3,4-Difluorophenyl)-4'-vinylbicyclohexyl are as followings: (1)ACD/LogP: 7.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.936; (4)ACD/LogD (pH 7.4): 7.936; (5)ACD/BCF (pH 5.5): 632979.563; (6)ACD/BCF (pH 7.4): 632979.563; (7)ACD/KOC (pH 5.5): 494544.406; (8)ACD/KOC (pH 7.4): 494544.406; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 88.597 cm³; (15)Molar Volume: 280.019 cm³; (16)Polarizability: 35.122×10^-24cm³; (17)Surface Tension: 36.658 dyne/cm; (18)Density: 1.087 g/cm³; (19)Flash Point: 148.61 °C; (20)Enthalpy of Vaporization: 59.047 kJ/mol; (21)Boiling Point: 368.027 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=C[C@H]1CC[C@@H](CC1)C2CC[C@@H](CC2)c3cc(c(cc3)F)F
(2)InChI: InChI=1/C20H26F2/c1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18/h2,11-17H,1,3-10H2/t14-,15-,16?,17-
(3)InChIKey: ALFLDQIYGBNZCO-KIAZBTLXBK

Product Name

trans-4-(3,4-Difluorophenyl)-trans-4'-vinylbicyclohexane

trans,trans-4-(3,4-Difluorophenyl)-4'-vinylbicyclohexyl Specification

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