1,2-Bis(4-fluorophenyl)-2-hydroxyethanone

HCID 103786

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53458-16-5
Standard SMILES: O=C(c1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIKey: VGZHWXAFILGMSR-UHFFFAOYSA-N
Molecular formula: C14H10F2O2
Average molar mass: 248.22 g/mol
Monoisotopic mass: 248.064886

Names & identifiers

Preferred name: 1,2-Bis(4-fluorophenyl)-2-hydroxyethanone
IUPAC: 1,2-bis(4-fluorophenyl)-2-hydroxyethanone
English name: 4,4'-Difluorobenzoin
Molecular formula: C14H10F2O2
Molecular weight: 248.22

Names & synonyms

1,2-bis(4-fluorophenyl)-2-hydroxyethanone53458-16-54,4'-difluorobenzoin1,2-Bis(4-fluorophenyl)-2-hydroxyethan-1-oneMFCD00055470CHEMBL244213EINECS 258-565-62-hydroxy-1,2-bis(4-fluorophenyl)ethanoneSCHEMBL5444935DTXSID10968142BDBM50209409AKOS030573915

Show more names

4,4''-DIFLUOROBENZOIN 99.0%Ethanone, 1,2-bis(4-fluorophenyl)-2-hydroxy-

DS-3376SY28027512-Bis(4-fluorophenyl)-2-hydroxyethanoneDB-2157671,2 Bis(4-fluorophenyl)-2-hydroxy ethanone1,2-bis(4-fluorophenyl)-2-hydroxy-ethanoneCS-0161861NS00059055

Database identifiers

CAS: 53458-16-5
PubChem CID: 103786
DTXSID: DTXSID10968142
ChEMBL: CHEMBL244213
EC Number: 258-565-6
Nikkaji: J295.960G

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 280

Experimental & physicochemical properties

LogP2.49

Physicochemical properties

Melting point: 74 · 74-76 °C
Boiling point: 376 · 376.0±32.0 °C(Predicted)
Density: 1.317 · 1.317±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 11.83 · 11.83±0.20(Predicted)
Appearance: White to off-white Solid
optical activity: -128.2 ° · -128.2° (C=0.24 g/100ml, CHCL3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338