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trans,trans-4'-(4-Ethoxy-2,3-difluoro-phenyl)-4-propyl-bicyclohexyl

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Name

trans,trans-4'-(4-Ethoxy-2,3-difluoro-phenyl)-4-propyl-bicyclohexyl

EINECS N/A
CAS No. 123560-48-5 Density 1.03 g/cm3
PSA 9.23000 LogP 7.24380
Solubility 900μg/L at 20℃ Melting Point 77.0 to 81.0 °C
Formula C23H34F2O Boiling Point 419.267 °C at 760 mmHg
Molecular Weight 364.519 Flash Point 216.357 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 123560-48-5 (TRANS,TRANS-4''-(4-ETHOXY-2,3-DIFLUORO-PHENYL)-4-PROPYL-BICYCLOHEXYL) Hazard Symbols N/A
Synonyms

Benzene,1-ethoxy-2,3-difluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-, [trans(trans)]-;CCP 302FF;

Article Data 2

trans,trans-4'-(4-Ethoxy-2,3-difluoro-phenyl)-4-propyl-bicyclohexyl Specification

The CAS registry number of Benzene,1-ethoxy-2,3-difluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- is 123560-48-5. In addition, the molecular formula is C23H34F2O and the molecular weight is 364.51. It is also called trans,trans-4'-(4-ethoxy-2,3-difluoro-phenyl)-4-propyl-bicyclohexyl. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about Benzene,1-ethoxy-2,3-difluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]- are: (1)ACD/LogP: 9.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.245; (4)ACD/LogD (pH 7.4): 9.245; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2549699; (8)ACD/KOC (pH 7.4): 2549699; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 103.087 cm3; (14)Molar Volume: 353.749 cm3; (15)Polarizability: 40.867 ×10-24cm3; (16)Surface Tension: 34.064 dyne/cm; (17)Density: 1.03 g/cm3; (18)Flash Point: 216.357 °C; (19)Enthalpy of Vaporization: 64.685 kJ/mol; (20)Boiling Point: 419.267 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCC[C@H]1CC[C@@H](CC1)[C@H]2CC[C@@H](CC2)c3c(c(c(cc3)OCC)F)F
(2)InChI: InChI=1/C23H34F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h14-19H,3-13H2,1-2H3/t16-,17-,18-,19-
(3)InChIKey: CFJCNWQXOICKIF-VVPTUSLJBX

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