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CAS No.: | 137528-87-1 |
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Name: | 3,5-difluoro-4'-propylbihenyl |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C15H14F2 |
Molecular Weight: | 232.273 |
Synonyms: | 3,5-difluoro-4'-propylbihenyl |
Density: | 1.093 g/cm3 |
Melting Point: | 25.015℃ (acetic acid ) |
Boiling Point: | 302.805 °C at 760 mmHg |
Flash Point: | 114.183 °C |
Appearance: | White solid |
PSA: | 0.00000 |
LogP: | 4.58430 |
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This chemical is called 3,5-Difluoro-4'-propylbiphenyl, and it can also be named as 1,1'-biphenyl, 3,5-difluoro-4'-propyl-. With the molecular formula of C15H14F2, its molecular weight is 232.27. The CAS registry number of this chemical is 137528-87-1.
Other characteristics of the 3,5-Difluoro-4'-propylbiphenyl can be summarised as followings: (1)ACD/LogP: 5.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 22988; (6)ACD/BCF (pH 7.4): 22988; (7)ACD/KOC (pH 5.5): 46084; (8)ACD/KOC (pH 7.4): 46084; (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: 1.524; (14)Molar Refractivity: 65.014 cm3; (15)Molar Volume: 212.462 cm3; (16)Polarizability: 25.774×10-24cm3; (17)Surface Tension: 33.531 dyne/cm; (18)Density: 1.093 g/cm3; (19)Flash Point: 114.183 °C; (20)Enthalpy of Vaporization: 52.135 kJ/mol; (21)Boiling Point: 302.805 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cc(cc(F)c1)c2ccc(CCC)cc2
2.InChI: InChI=1/C15H14F2/c1-2-3-11-4-6-12(7-5-11)13-8-14(16)10-15(17)9-13/h4-10H,2-3H2,1H3
3.InChIKey: MSYHVNATNGNOOY-UHFFFAOYAL