-
Name
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
- EINECS
- CAS No. 567-15-7
- Article Data5
- CAS DataBase
- Density 1.308 g/cm3
- Solubility
- Melting Point 32 °C
- Formula C14H8F6
- Boiling Point 293.3 °C at 760 mmHg
- Molecular Weight 290.208
- Flash Point 101.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,2'-Bitolyl,a,a,a,a',a',a'-hexafluoro- (8CI);2,2'-Bis(trifluoromethyl)-1,1'-biphenyl;2,2'-Bis(trifluoromethyl)biphenyl;
- PSA 0.00000
- LogP 5.39120
1,1'-Biphenyl,2,2'-bis(trifluoromethyl)- Specification
The CAS register number of 1,1'-Biphenyl,2,2'-bis(trifluoromethyl)- is 567-15-7. It also can be called as 2,2'-Bis(trifluoromethyl)-1,1'-biphenyl and the IUPAC name about this chemical is 1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene. The molecular formula about this chemical is C14H8F6 and the molecular weight is 290.203739 g/mol.
Physical properties about 1,1'-Biphenyl,2,2'-bis(trifluoromethyl)- are: (1)ACD/LogP: 5.92; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.92; (4)ACD/LogD (pH 7.4): 5.92; (5)ACD/BCF (pH 5.5): 18557.9; (6)ACD/BCF (pH 7.4): 18557.9; (7)ACD/KOC (pH 5.5): 39536.63; (8)ACD/KOC (pH 7.4): 39536.63; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.46; (11)Molar Refractivity: 60.8 cm3; (12)Molar Volume: 221.7 cm3; (13)Polarizability: 24.1x10-24cm3; (14)Surface Tension: 24.8 dyne/cm; (15)Enthalpy of Vaporization: 51.15 kJ/mol; (16)Boiling Point: 293.3 °C at 760 mmHg; (17)Vapour Pressure: 0.00306 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccccc2c1ccccc1C(F)(F)F
(2)InChI: InChI=1/C14H8F6/c15-13(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(18,19)20/h1-8H
(3)InChIKey: VBFVFTVNLQCICW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C14H8F6/c15-13(16,17)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(18,19)20/h1-8H
(5)Std. InChIKey: VBFVFTVNLQCICW-UHFFFAOYSA-N
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