CAS No.68418-51-9,METHANONE, 1,1'-(1,4-PHENYLENE)BIS[1-(4-FLUOROPHENYL)-] Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68418-51-9
Name:	METHANONE, 1,1'-(1,4-PHENYLENE)BIS[1-(4-FLUOROPHENYL)-]
Article Data:	12
Cas Database

Formula:	C₂₀H₁₂F₂O₂
Molecular Weight:	322.311
Synonyms:	Methanone,1,4-phenylenebis[(4-fluorophenyl)- (9CI);1,4-Bis(4-fluorobenzoyl)benzene;1,4-Bis(4'-fluorobenzoyl)benzene;1,4-Bis(p-fluorobenzoyl)benzene;
Density:	1.268 g/cm³
Melting Point:	208-210 °C
Boiling Point:	468.497 °C at 760 mmHg
Flash Point:	176.279 °C
Solubility:	900ng/L at 20℃
PSA:	34.14000
LogP:	4.42680

Synthetic route

: 462-06-6
fluorobenzene

: 100-20-9
terephthaloyl chloride

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

Conditions

Conditions	Yield
With aluminium trichloride at 23℃; for 4h; Friedel-Crafts acylation;	96%
With aluminum (III) chloride for 8h; Friedel-Crafts Acylation; Inert atmosphere;

: 437-29-6
tris(4-fluorophenyl)bismuthane

: 100-20-9
terephthaloyl chloride

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

Conditions

Conditions	Yield
With tributyl-amine In 1-methyl-pyrrolidin-2-one at 80℃; for 5h; Schlenk technique; Inert atmosphere;	77%
With triethylamine; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 80℃; for 3h;	73%

: tris(4-fluorophenyl)indium

: 201230-82-2
carbon monoxide

: 624-38-4
para-diiodobenzene

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

Conditions

Conditions	Yield
With mesoporous material MCM-41-immobilized palladium(II)-schiff base complex In tetrahydrofuran at 68℃; under 1900.13 Torr; for 3.5h; Inert atmosphere; Schlenk technique;	72%

...Expand

: 18531-99-2
(S)-[1,1']-binaphthalenyl-2,2'-diol

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

: C60H36O6F2

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 150℃; for 9h;	86%

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

: 1,4-bis(3-nitro-4-fluorobenzoyl) benzene

Conditions

Conditions	Yield
With sulfuric acid; nitric acid In (2S)-N-methyl-1-phenylpropan-2-amine hydrate	83.7%

: 1066-26-8
sodium acetylide

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

: 874364-99-5
1,4-di[1-hydroxy-1-(p-fluorophenyl)-prop-2-ynyl]benzene

Conditions

Conditions	Yield
With acetylene In tetrahydrofuran; dimethyl sulfoxide at 23℃;	61%

: 80-05-7
BPA

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

Polymer; Monomer(s): 2,2-bis(4-hydroxyphenyl)propane; 1,4-bis(4-fluorobenzoyl)benzene: Polymer; Monomer(s): 2,2-bis(4-hydroxyphenyl)propane; 1,4-bis(4-fluorobenzoyl)benzene

Conditions

Conditions	Yield
With potassium carbonate Polymerization;

: 92-88-6
4,4'-Dihydroxybiphenyl

: 16889-49-9
9,9'-bis(4-hydroxyphenyl)-10-anthrone

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

Polymer, A/B molar ratio 20/80; Monomer(s): 10,10-bis(4-hydroxyphenyl)anthrone (A); 4,4\-biphenol (B); 1,4-bis(4-fluorobenzoyl)benzene: Polymer, A/B molar ratio 20/80; Monomer(s): 10,10-bis(4-hydroxyphenyl)anthrone (A); 4,4\-biphenol (B); 1,4-bis(4-fluorobenzoyl)benzene

Conditions

Conditions	Yield
With potassium carbonate Polymerization;

...Expand

: 92-88-6
4,4'-Dihydroxybiphenyl

: 16889-49-9
9,9'-bis(4-hydroxyphenyl)-10-anthrone

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

Polymer, A/B molar ratio 50/50; Monomer(s): 10,10-bis(4-hydroxyphenyl)anthrone (A); 4,4\-biphenol (B); 1,4-bis(4-fluorobenzoyl)benzene: Polymer, A/B molar ratio 50/50; Monomer(s): 10,10-bis(4-hydroxyphenyl)anthrone (A); 4,4\-biphenol (B); 1,4-bis(4-fluorobenzoyl)benzene

Conditions

Conditions	Yield
With potassium carbonate Polymerization;

...Expand

: 92-88-6
4,4'-Dihydroxybiphenyl

: 3236-71-3
9,9-bis(4-hydroxyphenyl)fluorene

: 68418-51-9
1,4-bis-(4-fluorobenzoyl)-benzene

Polymer, A/B molar ratio 20/80; Monomer(s): 9,9-bis(4-hydroxyphenyl)fluorene (A); 4,4\-biphenol (B); 1,4-bis(4-fluorobenzoyl)benzene: Polymer, A/B molar ratio 20/80; Monomer(s): 9,9-bis(4-hydroxyphenyl)fluorene (A); 4,4\-biphenol (B); 1,4-bis(4-fluorobenzoyl)benzene

Conditions

Conditions	Yield
With potassium carbonate Polymerization;

...Expand

Raw Materials

462-06-6

100-20-9

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Specification

This chemical is called 1,4-Bis(4-fluorobenzoyl)benzene, and its systematic name is benzene-1,4-diylbis[(2-fluorophenyl)methanone]. With the molecular formula of C₂₀H₁₂F₂O₂, its molecular weight is 322.30. The CAS registry number of this chemical is 68418-51-9

Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)ACD/BCF (pH 5.5): 479.63; (6)ACD/BCF (pH 7.4): 479.63; (7)ACD/KOC (pH 5.5): 2888; (8)ACD/KOC (pH 7.4): 2888; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 85.82 cm³; (15)Molar Volume: 254 cm³; (16)Polarizability: 34.02×10^-24cm³; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.268 g/cm³; (19)Flash Point: 180.2 °C; (20)Enthalpy of Vaporization: 74.46 kJ/mol; (21)Boiling Point: 480.1 °C at 760 mmHg; (22)Vapour Pressure: 2.22E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccccc1F)c2ccc(cc2)C(=O)c3ccccc3F
2.InChI: InChI=1/C20H12F2O2/c21-17-7-3-1-5-15(17)19(23)13-9-11-14(12-10-13)20(24)16-6-2-4-8-18(16)22/h1-12H
3.InChIKey: WZIAJVRIELTJDH-UHFFFAOYAC