【Name】

4,4'-Difluorobenzophenone

【Iupac name】

bis(4-fluorophenyl)methanone

【CAS Registry number】

345-92-6

【Synonyms】

Bis(p-fluorophenyl) ketone
Bis(4-fluorophenyl) ketone
4-07-00-01374 (Beilstein Handbook Reference)
Bis(4-fluorophenyl)methanone
p,p-Difluorobenzophenone
Methanone, bis(4-fluorophenyl)- (9CI)
Benzophenone, 4,4-difluoro-
Di-p-fluorophenyl ketone
4,4-Difluorobenzophenone
Methanone, bis (4-fluorophenyl)-
4,4'-Difluro benzophenone
4,4'-Difluoroacetophenone
4,4'-difluoro-benzophenon

【EINECS(EC#)】

206-466-3

【Molecular Formula】

C₁₃H₈F₂O (Products with the same molecular formula)

【Molecular Weight】

218.2

【Inchi】

InChI=1/C13H8F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

【InChIKey】

LSQARZALBDFYQZ-UHFFFAOYSA-N

【Canonical SMILES】

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)F

【MOL File】
345-92-6.mol

Chemical and Physical Properties

【Appearance】

White to off-white solid.

【Density】

1.239g/cm³

【Melting Point】

106-109℃

【Boiling Point】

137℃ (3 torr)

【Refractive Index】

1.544

【Flash Point】

118.4°C

【Solubilities】

Insoluble

【Stability】

Stable under normal temperatures and pressures.

【Storage temp】

Store in a cool, dry place. Keep container closed when not in use.

【Computed Properties】

Molecular Weight:218.198826 [g/mol]
Molecular Formula:C₁₃H₈F₂O
XLogP3:3.8
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:218.054321
MonoIsotopic Mass:218.054321
Topological Polar Surface Area:17.1
Heavy Atom Count:16
Formal Charge:0
Complexity:214
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

Safety and Handling

【Hazard Codes】

Xi:Irritant

【Risk Statements】

R36/37/38

【Safety Statements 】

S26;S37/39

【HazardClass】

IRRITANT

【Hazard Note】

Irritant

【PackingGroup 】

I; II; III