| Identification | More | [Name]
3',4'-Difluoroacetophenone | [CAS]
369-33-5 | [Synonyms]
1-(3,4-Difluorophenyl)ethan-1-one
1-(3,4-DIFLUORO-PHENYL)-ETHANONE
3',4'-DIFLUOROACETOPHENONE
3,4-DIFLUOROACETOPHENONE
OTAVA-BB BB7020410077
Ethanone, 1-(3,4-difluorophenyl)-
3,4-Difluoroacetophenone,98%
3',4'-Difluoro
3',4'-Difluoroacetophenone 99%
3',4'-Difluoroacetophenone99%
3,4-Difluorophenyl(methyl) ketone | [EINECS(EC#)]
206-717-7 | [Molecular Formula]
C8H6F2O | [MDL Number]
MFCD00009891 | [Molecular Weight]
156.13 | [MOL File]
369-33-5.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellowish liquid after melting | [Melting point ]
19-20 °C(lit.) | [Boiling point ]
94-95 °C13 mm Hg(lit.) | [density ]
1.246 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4916(lit.)
| [Fp ]
167 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to lump to clear liquid | [color ]
White or Colorless to Light yellow | [Specific Gravity]
1.246 | [Water Solubility ]
INSOLUBLE | [BRN ]
2206856 | [InChI]
1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3 | [InChIKey]
VWJSSJFLXRMYNV-UHFFFAOYSA-N | [SMILES]
CC(=O)c1ccc(F)c(F)c1 | [CAS DataBase Reference]
369-33-5(CAS DataBase Reference) | [NIST Chemistry Reference]
3',4'-Difluoroacetophenone(369-33-5) |
| Safety Data | Back 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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29147000 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellowish liquid after melting | [Uses]
3′,4′-Difluoroacetophenone may be used in chemical synthesis. | [Definition]
ChEBI: 1-(3,4-Difluorophenyl)ethan-1-one is an aromatic ketone. | [Synthesis]
Anhydrous aluminum trichloride (117 g) was slowly added to a mixed solution of 1,2-difluorobenzene (50 g) with acetyl chloride (86 g) at room temperature. The formed slurry was heated to 30°C with continuous stirring. Upon completion of the reaction, the red reaction mixture was cooled to 20 °C and subsequently slowly poured into 800 g of ice-water mixture with continued stirring for 30 min. The organic phase was separated and the aqueous phase was extracted with dichloromethane (3 x 500 ml). All organic phases were combined and washed sequentially with water (2 x 500 ml), saturated sodium bicarbonate solution (2 x 500 ml) and 15% brine (2 x 500 ml), followed by drying with anhydrous sodium sulfate. The organic phases were concentrated to remove the solvent and finally distilled under reduced pressure to collect the fractions at 95 °C/13 mmHg to give 3',4'-difluoroacetophenone (51 g). | [References]
[1] Journal of Fluorine Chemistry, 1980, vol. 15, p. 245 - 252
[2] Journal of the Indian Chemical Society, 1982, vol. 59, # 2, p. 293 - 294
[3] Heterocycles, 1981, vol. 16, # 9, p. 1545 - 1553
[4] Journal of Medicinal Chemistry, 1979, vol. 22, # 11, p. 1385 - 1389
[5] Heterocycles, 1981, vol. 16, # 1, p. 71 - 76 |
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