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| CAS No.: | 3883-86-1 |
|---|---|
| Name: | 4H,4'H-OCTAFLUOROBIPHENYL |
| Molecular Structure: | |
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| Formula: | C12H2F8 |
| Molecular Weight: | 298.135 |
| Synonyms: | Biphenyl,2,2',3,3',5,5',6,6'-octafluoro- (7CI,8CI);2,2',3,3',5,5',6,6'-Octafluorobiphenyl;NSC 96909; |
| EINECS: | 223-418-7 |
| Density: | 1.582 g/cm3 |
| Melting Point: | 84-86 °C(lit.) |
| Boiling Point: | 222.4 °C at 760 mmHg |
| Flash Point: | 73.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 4.46640 |
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Specification
The 1,1'-Biphenyl,2,2',3,3',5,5',6,6'-octafluoro- is an organic compound with the formula C12H2F8. The IUPAC name of this chemical is 1,2,4,5-tetrafluoro-3-(2,3,5,6-tetrafluorophenyl)benzene. With the CAS registry number 3883-86-1, it is also named as Biphenyl, 2,2',3,3',5,5',6,6'-octafluoro-. The product's categories are Aryl; C9 to C12; Halogenated Hydrocarbons. Besides, it should be stored in a dark closed and well-ventilated place.
Physical properties about 1,1'-Biphenyl,2,2',3,3',5,5',6,6'-octafluoro- are: (1)ACD/LogP: 7.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.07; (4)ACD/LogD (pH 7.4): 7.07; (5)ACD/BCF (pH 5.5): 139124.63; (6)ACD/BCF (pH 7.4): 139124.63; (7)ACD/KOC (pH 5.5): 167196.08; (8)ACD/KOC (pH 7.4): 167196.08; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.451; (11)Molar Refractivity: 50.79 cm3; (12)Molar Volume: 188.3 cm3; (13)Polarizability: 20.13×10-24cm3; (14)Surface Tension: 29.1 dyne/cm; (15)Density: 1.582 g/cm3; (16)Flash Point: 73.9 °C; (17)Enthalpy of Vaporization: 44.02 kJ/mol; (18)Boiling Point: 222.4 °C at 760 mmHg; (19)Vapour Pressure: 0.151 mmHg at 25°C.
Preparation: this chemical can be prepared by biphenyl. This reaction will need reagent thallic trifluoroacetate, trifluoroacetic acid, trifluoromethanesulfonic acid and solvent H2O. The reaction time is 48 hours by heating. The yield is about 87%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc2c(c1c(F)c(F)cc(F)c1F)c(F)c(F)cc2F
(2)InChI: InChI=1/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
(3)InChIKey: QWCHHUZAAGRHDB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H2F8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
(5)Std. InChIKey: QWCHHUZAAGRHDB-UHFFFAOYSA-N