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ChemicalBook--->CAS DataBase List--->179113-89-4

179113-89-4

179113-89-4 Structure

179113-89-4 Structure
IdentificationMore
[Name]

3,5-DIFLUOROBENZOPHENONE
[CAS]

179113-89-4
[Synonyms]

3,5-DIFLUOROBENZOPHENONE
3,5-Difluorobenzophenone 97%
3,5-Difluorobenzophenone97%
3,5-DIFLUOROBENZOPHENONE, 98+%
[EINECS(EC#)]

642-490-4
[Molecular Formula]

C13H8F2O
[MDL Number]

MFCD00061140
[Molecular Weight]

218.2
[MOL File]

179113-89-4.mol
Chemical PropertiesBack Directory
[Melting point ]

57-59°C
[Boiling point ]

117°C 5mm
[density ]

1.239±0.06 g/cm3(Predicted)
[Fp ]

116-118°C/5mm
[storage temp. ]

2-8°C
[form ]

crystalline solid
[color ]

Yellow
[BRN ]

7919206
[CAS DataBase Reference]

179113-89-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2914390090
Hazard InformationBack Directory
[Preparation]

Synthesis of 3,5-Difluorobenzophenone: Prior to acylations, 3,5-difluorobenzoic acid was reacted with freshly distilled thionyl chloride and catalytic amounts of DMF(2 drops). After two hours at 55 °C, the excess thionyl chloride was distilled between 75 and 77 °C. The acid halide was then fractionally distilled at 174 °C, and recovery was generally around 75%. To a 50 mL round bottom flask, equipped with a gas inlet, addition funnel, condenser, and drying tube, were added 3.01 g (22.6 mmol) of AlCl3. A mixture of 3.62 g (20.5 mmol) 3,5-difluorobenzoyl chloride and 8.01 g (102.5 mmol) benzene was added dropwise to the AlCl3. The reaction mixture was stirred for 4 hours, before heating to 75 °C. After 16 hours the reaction mixture was quenched by pouring into acidic ice water, followed by addition of 300 mL of chloroform, and transferring to a separatory funnel. The layers were separated and the organic layer was washed with 5 wt. % bicarbonate, distilled water, and then dried with MgSO4 and the solvents were removed, via rotary evaporation, leaving an off-white solid. The crude material was recrystallized from aqueous ethanol to afford (3.00 g, 67 %) of a crystalline white solid with a m.p. 58-59 °C (lit.21 m.p. 57-58 °C); 1H NMR (300 MHz, CDCl3, δ) 7.04 (tt, 1H, J = 8.4, 2.4 Hz), 7.31 (m, 2H), 7.51 (m, 2H), 7.63 (tt, 1H, J = 7.5, 1.2 Hz), 7.78 (m, 2H)
Spectrum DetailBack Directory
[Spectrum Detail]

3,5-DIFLUOROBENZOPHENONE(179113-89-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3,5-Difluorobenzophenone, 98+%(179113-89-4)
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