1,3-Bis(4-fluorobenzoyl)benzene

HCID 688263

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Basic information

CAS: 108464-88-6
Standard SMILES: O=C(c1ccc(F)cc1)c1cccc(C(=O)c2ccc(F)cc2)c1
InChIKey: PISLKPDKKIDMQT-UHFFFAOYSA-N
Molecular formula: C20H12F2O2
Average molar mass: 322.3 g/mol
Monoisotopic mass: 322.08053595

Names & identifiers

Preferred name: 1,3-Bis(4-fluorobenzoyl)benzene
IUPAC: [3-(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone
English name: 1,3-Bis(4-fluorobenzoyl)benzene
Molecular formula: C20H12F2O2
Molecular weight: 322.3

Names & synonyms

108464-88-61,3-Bis(4-fluorobenzoyl)benzeneDTXSID20350852RefChem:218052DTXCID103019191,3-Phenylenebis((4-fluorophenyl)methanone)[3-(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanoneC20H12F2O2Methanone, 1,3-phenylenebis[(4-fluorophenyl)-MFCD002393601,3-?Bis(4-?fluorobenzoyl)?benzeneAKOS015895843

Show more names

1,3-BIS(4-FLUOROBENZLABOTEST-BB LT001593591,3-Bis(4-Fluorobenzoyl1,3-Bis(4-fluorobenzoyl)benzene 98%1，3-bis(4-fluorobenzeneformyl)benzene1,3-Bis(4-Fluorobenzoyl)benzene (BFBZ)

1,3-Bis(4-fluorobenzoyl)benzene, 98%AS-786471,3-Phenylenebis[(4-fluorophenyl)methanone]4-fluorophenyl 3-[(4-fluorophenyl)carbonyl]phenyl ketoneAMY38283[3-(4-fluorobenzoyl)phenyl](4-fluorophenyl)methanoneSCHEMBL209624SCHEMBL5069651

Database identifiers

CAS: 108464-88-6
PubChem CID: 688263
DTXSID: DTXSID20350852
Nikkaji: J627.144H

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 409

Physicochemical properties

Melting point: 181 · 181-183 °C (lit.)
Boiling point: 476.3 · 476.3±40.0 °C(Predicted)
Density: 1.268 · 1.268
storage temp.: Store at room temperature
form: solid
Appearance: White to off-white Solid
InChI: InChI=1S/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-UHFFFAOYSA-N
SMILES: C1(C(C2=CC=C(F)C=C2)=O)=CC=CC(C(C2=CC=C(F)C=C2)=O)=C1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses1,3-Bis(4-fluorobenzoyl)benzene was used for the synthesis of sulfonated poly(aryl ether ketone)s (SPAEK) copolymers by aromatic nucleophilic polycondensation. It may be employed as an activated nonsulfonated difluoro-monomer for the synthesis of fluorenyl-containing sulfonated poly(aryl ether ether ketone ketone)s.

General Description1,3-Bis(4-fluorobenzoyl)benzene is an organic building block. It polymerizes with 4,4′-isopropylidenediphenol (bisphenol-A) in the presence of N-methyl-2-pyrrolidinone (solvent) to afford high molecular weight polymers.