CAS No.123560-48-5,TRANS,TRANS-4''-(4-ETHOXY-2,3-DIFLUORO-PHENYL)-4-PROPYL-BICYCLOHEXYL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	123560-48-5
Name:	TRANS,TRANS-4''-(4-ETHOXY-2,3-DIFLUORO-PHENYL)-4-PROPYL-BICYCLOHEXYL
Article Data:	2

Formula:	C₂₃H₃₄F₂O
Molecular Weight:	364.519
Synonyms:	Benzene,1-ethoxy-2,3-difluoro-4-(4'-propyl[1,1'-bicyclohexyl]-4-yl)-, [trans(trans)]-;CCP 302FF;
Density:	1.03 g/cm³
Melting Point:	77.0 to 81.0 °C
Boiling Point:	419.267 °C at 760 mmHg
Flash Point:	216.357 °C
Solubility:	900μg/L at 20℃
PSA:	9.23000
LogP:	7.24380

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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