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1,3-Bis(4-fluorobenzoyl)benzene

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Name

1,3-Bis(4-fluorobenzoyl)benzene

EINECS 1312995-182-4
CAS No. 108464-88-6 Density 1.268 g/cm3
PSA 34.14000 LogP 4.42680
Solubility N/A Melting Point 181-183 °C(lit.)
Formula C20H12F2O2 Boiling Point 476.3 °C at 760 mmHg
Molecular Weight 322.311 Flash Point 178.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 108464-88-6 (1,3-BIS(4-FLUOROBENZOYL)BENZENE) Hazard Symbols N/A
Synonyms

Methanone,1,3-phenylenebis[(4-fluorophenyl)- (9CI);1,3-Bis(p-fluorobenzoyl)benzene;

Article Data 6

1,3-Bis(4-fluorobenzoyl)benzene Synthetic route

462-06-6

fluorobenzene

99-63-8

benzene-1,3-dicarbonyl dichloride

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Conditions
ConditionsYield
With aluminium trichloride at 23℃; for 4h; Friedel-Crafts acylation;98%
Stage #1: benzene-1,3-dicarbonyl dichloride With aluminum (III) chloride In dichloromethane for 0.5h; Friedel-Crafts Acylation; Inert atmosphere; Reflux;
Stage #2: fluorobenzene In dichloromethane for 12h; Friedel-Crafts Acylation; Inert atmosphere;
56%
Stage #1: benzene-1,3-dicarbonyl dichloride With aluminum (III) chloride In dichloromethane for 0.5h; Reflux;
Stage #2: fluorobenzene In dichloromethane for 12h; Reflux;
42%
With aluminum (III) chloride for 8h; Friedel-Crafts Acylation; Inert atmosphere;3.24 g
437-29-6

tris(4-fluorophenyl)bismuthane

99-63-8

benzene-1,3-dicarbonyl dichloride

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Conditions
ConditionsYield
With triethylamine; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 80℃; for 3h;76%
With tributyl-amine In 1-methyl-pyrrolidin-2-one at 80℃; for 4h; Schlenk technique; Inert atmosphere;74%
92-88-6

4,4'-Dihydroxybiphenyl

135-53-5

2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4.5 mmol; 4,4\-biphenol, 0.5 mmol

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4.5 mmol; 4,4\-biphenol, 0.5 mmol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃;100%
92-88-6

4,4'-Dihydroxybiphenyl

135-53-5

2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4 mmol; 4,4\-biphenol, 1 mmol

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4 mmol; 4,4\-biphenol, 1 mmol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃;100%
92-88-6

4,4'-Dihydroxybiphenyl

135-53-5

2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 3.5 mmol; 4,4\-biphenol, 1.5 mmol

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 3.5 mmol; 4,4\-biphenol, 1.5 mmol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃;100%
92-88-6

4,4'-Dihydroxybiphenyl

135-53-5

2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 3 mmol; 4,4\-biphenol, 2 mmol

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 3 mmol; 4,4\-biphenol, 2 mmol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃;100%
92-88-6

4,4'-Dihydroxybiphenyl

135-53-5

2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 2.5 mmol; 4,4\-biphenol, 2.5 mmol

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 2.5 mmol; 4,4\-biphenol, 2.5 mmol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃;100%
135-53-5

2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 4 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4 mmol

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 4 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4 mmol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃;100%
135-53-5

2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt

123-31-9

hydroquinone

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4.5 mmol; hydroquinone, 0.5 mmol

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4.5 mmol; hydroquinone, 0.5 mmol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃;100%
135-53-5

2,3-dihydroxynaphthalene-6-sulphonic acid sodium salt

123-31-9

hydroquinone

108464-88-6

1,3-bis(4'-fluorobenzoyl)benzene

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4 mmol; hydroquinone, 1 mmol

Polymer; Monomer(s): 1,3-bis(4-fluorobenzoyl)benzene, 5 mmol; sodium 6,7-dihydroxy-2-naphthalenesulfonate, 4 mmol; hydroquinone, 1 mmol

Conditions
ConditionsYield
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 160 - 170℃;100%

1,3-Bis(4-fluorobenzoyl)benzene Specification

The systematic name of 1,3-Bis(4-fluorobenzoyl)benzene is benzene-1,3-diylbis[(4-fluorophenyl)methanone] . With the CAS registry number 108464-88-6, it is also named as 1,3-Phenylenebis[(4-fluorophenyl)methanone] ; methanone, 1,1'-(1,3-phenylene)bis[1-(4-fluorophenyl)- . The product's categories are C15 to C38, carbonyl compounds and ketones. It is used as pharmaceutical intermediates. 1,3-Bis(4-fluorobenzoyl)benzene must be sealed in the container. Keep the container tightly sealed and store in a cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.86 ; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2 ; (4)#H bond donors: 0 ; (5)#Freely Rotating Bonds: 4 ; (6)Index of Refraction: 1.59 ; (7)Molar Refractivity: 85.82 cm3 ; (8)Molar Volume: 254 cm3 ; (9)Polarizability: 34.02×10-24 cm3 ; (10)Surface Tension: 45.7 dyne/cm ; (11)Enthalpy of Vaporization: 74 kJ/mol ; (12)Vapour Pressure: 3.08E-09 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: O=C(c1ccc(F)cc1)c3cccc(C(=O)c2ccc(F)cc2)c3; InChI: InChI=1/C20H12F2O2/c21-17-8-4-13(5-9-17)19(23)15-2-1-3-16(12-15)20(24)14-6-10-18(22)11-7-14/h1-12H; InChIKey: PISLKPDKKIDMQT-UHFFFAOYAJ. The price of this product changes with the market.

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