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CAS No.: | 457-68-1 |
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Name: | 4,4'-Difluorodiphenylmethane |
Article Data: | 33 |
Molecular Structure: | |
Formula: | C13H10F2 |
Molecular Weight: | 204.219 |
Synonyms: | Methane,bis(p-fluorophenyl)- (6CI);1,1'-Methylenebis[4-fluorobenzene];1-Fluoro-4-(4-fluorobenzyl)benzene;4,4'-Difluorodiphenylmethane;Bis(4-fluorophenyl)methane;Bis(p-fluorophenyl)methane;NSC 51803; |
EINECS: | 207-274-2 |
Density: | 1.145 g/cm3 |
Melting Point: | 29-30 °C(lit.) |
Boiling Point: | 260.1 °C at 760 mmHg |
Flash Point: | 95.7 °C |
Solubility: | Insoluble in water. |
Appearance: | clear colorless to yellowish liquid after melting |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 21/22 |
Safety: | 28A |
PSA: | 0.00000 |
LogP: | 3.55560 |
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This chemical is called 4,4'-Difluorodiphenylmethane, and its systematic name is 1,1'-methanediylbis(4-fluorobenzene). With the molecular formula of C13H10F2, its molecular weight is 204.21. The CAS registry number of this chemical is 457-68-1, and its product categories are Diphenylmethanes (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research.
Other characteristics of the 4,4'-Difluorodiphenylmethane can be summarised as followings: (1)ACD/LogP: 4.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.31; (4)ACD/LogD (pH 7.4): 4.31; (5)ACD/BCF (pH 5.5): 1111.61; (6)ACD/BCF (pH 7.4): 1111.61; (7)ACD/KOC (pH 5.5): 5270.98; (8)ACD/KOC (pH 7.4): 5270.98; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 55.55 cm3; (15)Molar Volume: 177.2 cm3; (16)Polarizability: 22.02×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 95.7 °C; (20)Enthalpy of Vaporization: 47.77 kJ/mol; (21)Boiling Point: 260.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0202 mmHg at 25°C.
Production method of this chemical: The 4,4'-Difluorodiphenylmethane could be obtained by the reactant of 4,4'-difluoro-benzhydrol. This reaction needs the reagent of CiSiMe3, NaI, and the solvent of acetonitrile. The yield is 98 %. In addition, this reaction should be taken for 4 hours at the temperature of 20 °C.
Uses of this chemical: The 4,4'-Difluorodiphenylmethane could be obtained by the reactant of 4,4'-Difluorodiphenylmethane. This reaction needs the reagents of dioxygen, benzaldehyde, N-hydroxyphthalimide, the catalyst of Co/Ni/Cr, and the solvent of acetic acid. The yield is 89 %. This reaction should be taken for 7 hours at the temperature of 30 °C. The other condition is pressure of 750.06.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful in contacting with skin and if swallowed. After contacting with skin, wash immediately with plenty of soap-suds.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1)Cc2ccc(F)cc2
2.InChI: InChI=1/C13H10F2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9H2 InChIKey:
DXQVFHQUHOFROC-UHFFFAOYAB