Products Categories
CAS No.: | 398-23-2 |
---|---|
Name: | 4,4'-Difluorobiphenyl |
Article Data: | 274 |
Molecular Structure: | |
Formula: | C12H8F2 |
Molecular Weight: | 190.192 |
Synonyms: | Biphenyl,4,4'-difluoro- (6CI,7CI,8CI);4,4'-Difluoro-1,1'-biphenyl;4,4'-Difluorodiphenyl;NSC 4173;p,p'-Difluorobiphenyl; |
EINECS: | 206-910-6 |
Density: | 1.165 g/cm3 |
Melting Point: | 88-91 °C(lit.) |
Boiling Point: | 254.7 °C at 760 mmHg |
Flash Point: | 88.8 °C |
Solubility: | insoluble in water |
Appearance: | light yellow crystal powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
Transport Information: | UN 3152 9/PG 2 |
PSA: | 0.00000 |
LogP: | 3.63180 |
What can I do for you?
Get Best Price
The IUPAC name of 4,4'-Difluorobiphenyl is 1-fluoro-4-(4-fluorophenyl)benzene. With the CAS registry number 398-23-2, it is also named as 1,1'-Biphenyl, 4,4'-difluoro- (9CI). The product's categories are Biphenyl & Diphenyl Ether; Biphenyls (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research; Aryl; C9 to C12; Halogenated Hydrocarbons. It is light yellow crystal powder which is insoluble in water.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.535; (9)Molar Refractivity: 50.83 cm3; (10)Molar Volume: 163.1 cm3; (11)Polarizability: 20.15×10-24 cm3; (12)Surface Tension: 34.3 dyne/cm; (13)Enthalpy of Vaporization: 47.23 kJ/mol; (14)Vapour Pressure: 0.0271 mmHg at 25°C; (15)Rotatable Bond Count: 1; (16)Exact Mass: 190.059407; (17)MonoIsotopic Mass: 190.059407; (18)Heavy Atom Count: 14; (19)Complexity: 145.
Preparation of 4,4'-Difluorobiphenyl: It can be obtained by fluorobenzene. This reaction needs reagent Ti(OCOCF3)3 and catalytic agent Pd(OCOCH3)2 at temperature of 70 °C. The reaction time is 64 hours.
Uses of 4,4'-Difluorobiphenyl: It can react with carbon dioxide to get 4,4'-difluoro-biphenyl-3-carboxylic acid. This reaction needs reagent TMEDA, sec-BuLi and solvent tetrahydrofuran, cyclohexane at temperature of -78 °C. The yield is 76%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.
People can use the following data to convert to the molecule structure.
1. SMILES:Fc1ccc(cc1)c2ccc(F)cc2
2. InChI:InChI=1/C12H8F2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
3. InChIKey:PZDAAZQDQJGXSW-UHFFFAOYAA