Benzene,5-[(trans,trans)-4'-butyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro- supplier

Name
5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluoro-benzene
EINECS
CAS No. 139420-31-8
Density 1.055 g/cm³
Solubility
Melting Point
Formula C₂₂H₃₁F₃
Boiling Point 395.85 °C at 760 mmHg
Molecular Weight 352.483
Flash Point 223.603 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4,5-Trifluoro-1-[trans-4'-(trans-4'-butylcyclohexyl)-cyclohexyl]benzene;
PSA
LogP

Benzene,5-[(trans,trans)-4'-butyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro- Specification

The Benzene,5-[(trans,trans)-4'-butyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro-, with the CAS registry number of 139420-31-8, is also known as 3,4,5-Trifluoro-1-[trans-4'-(trans-4'-butylcyclohexyl)-cyclohexyl]benzene. Its molecular formula is C₂₂H₃₁F₃ and molecular weight is 352.47. What's more, its systematic name is 5-[4-(4-Butylcyclohexyl)cyclohexyl]-1,2,3-trifluoro-benzene.

Physical properties about the Benzene,5-[(trans,trans)-4'-butyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro- are: (1)ACD/LogP: 9.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.129; (4)ACD/LogD (pH 7.4): 9.129; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2203431.75; (8)ACD/KOC (pH 7.4): 2203431.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 96.402 cm³; (15)Molar Volume: 333.956 cm³; (16)Surface Tension: 33.773 dyne/cm; (17)Density: 1.055 g/cm³; (18)Flash Point: 223.603 °C; (19)Enthalpy of Vaporization: 62.086 kJ/mol; (20)Boiling Point: 395.85 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCC[C@H]1CCC(CC1)[C@H]2CCC(CC2)c3cc(c(c(c3)F)F)F
(2) InChI: InChI=1/C22H31F3/c1-2-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-20(23)22(25)21(24)14-19/h13-18H,2-12H2,1H3/t15-,16?,17-,18?
(3) InChIKey: ACBVQWIVNQRHRU-HFFNAHSWBG

Product Name

5-[4-(4-butylcyclohexyl)cyclohexyl]-1,2,3-trifluoro-benzene

Benzene,5-[(trans,trans)-4'-butyl[1,1'-bicyclohexyl]-4-yl]-1,2,3-trifluoro- Specification

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