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| CAS No.: | 396-64-5 |
|---|---|
| Name: | 3,3'-DIFLUOROBIPHENYL |
| Molecular Structure: | |
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| Formula: | C12H8F2 |
| Molecular Weight: | 190.192 |
| Synonyms: | Biphenyl,3,3'-difluoro- (6CI,8CI);3,3'-Difluoro-1,1'-biphenyl;3,3'-Difluorobiphenyl;3,3'-Difluorodiphenyl;m,m'-Difluorobiphenyl; |
| EINECS: | 206-905-9 |
| Density: | 1.165 g/cm3 |
| Melting Point: | 7-8 °C |
| Boiling Point: | 262.2 °C at 760 mmHg |
| Flash Point: | 92.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 3151 |
| PSA: | 0.00000 |
| LogP: | 3.63180 |
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Specification
The 1, 1'-Biphenyl, 3, 3'-difluoro-, with the CAS registry number 396-64-5, is also known as 3, 3'-Difluorobiphenyl. It belongs to the product categories of Biphenyls (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. Its EINECS registry number is 206-905-9. This chemical's molecular formula is C12H8F2 and molecular weight is 190.19. What's more, its IUPAC name is 1-Fluoro-3-(3-fluorophenyl)benzene.
Physical properties about 1, 1'-Biphenyl, 3, 3'-difluoro- are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1498.47; (6)ACD/BCF (pH 7.4): 1498.47; (7)ACD/KOC (pH 5.5): 6527.19; (8)ACD/KOC (pH 7.4): 6527.19; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 50.83 cm3; (15)Molar Volume: 163.1 cm3; (16)Polarizability: 20.15×10-24 cm3; (17)Surface Tension: 34.3 dyne/cm; (18)Density: 1.165 g/cm3; (19)Flash Point: 92.7 °C; (20)Enthalpy of Vaporization: 47.98 kJ/mol; (21)Boiling Point: 262.2 °C at 760 mmHg; (22)Vapour Pressure: 0.018 mmHg at 25 °C.
Preparation of 1, 1'-Biphenyl, 3, 3'-difluoro-: this chemical is prepared by 1-Fluoro-3-iodo-benzene. This reaction needs reagents Triethylamine; t-Butylmethylbenzyl sulfide; Phenyl halide. Meanwhile, it needs solvent Dimethylformamide and catalyst PdCl2. The reaction time is 24 hours with reaction temperature of 130 °C. The yield is about 83 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. 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: Fc2cc(c1cc(F)ccc1)ccc2
(2) InChI: InChI=1/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H
(3) InChIKey: GAYJHUJLHJWCTH-UHFFFAOYAL