| Identification | More | [Name]
3',5'-Difluoroacetophenone | [CAS]
123577-99-1 | [Synonyms]
3',5'-DIFLUOROACETOPHENONE
3,5-DIFLUOROACETOPHENONE
1-(3,5-Difluorophenyl)ethanone
Ethanone, 1-(3,5-difluorophenyl)-(9CI)
3',5'-Difluoroacetophenone 98%
3',5'-Difluoroacetophenone98%
3',5'-Difluoroacetophenone | [EINECS(EC#)]
626-379-8 | [Molecular Formula]
C8H6F2O | [MDL Number]
MFCD00042489 | [Molecular Weight]
156.13 | [MOL File]
123577-99-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
34-38 °C(lit.) | [Boiling point ]
94 °C | [density ]
1.206±0.06 g/cm3(Predicted) | [refractive index ]
1.4876 | [Fp ]
180 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Low Melting Solid | [color ]
White to slightly yellow | [BRN ]
6798740 | [InChI]
InChI=1S/C8H6F2O/c1-5(11)6-2-7(9)4-8(10)3-6/h2-4H,1H3 | [InChIKey]
OXJLDNSPGPBDCP-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC(F)=CC(F)=C1)C | [CAS DataBase Reference]
123577-99-1(CAS DataBase Reference) | [NIST Chemistry Reference]
3,5-Difluoroacetophenone(123577-99-1) |
| 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 . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29147000 |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
3′,5′-Difluoroacetophenone (3,5-Difluoroacetophenone) may be used to synthesize:
- (E)-3-(4-(1,5,9-trithia-13-azacyclohexadecan-13-yl)-phenyl)-1-(3,5-difluorophenyl)prop-2-en-1-one
- 1,3,5-triarylpyrazoline fluorophores containing a 16-membered thiazacrown ligand
- (±)-fluorinated-1-(3-morpholin-4-yl-phenyl)ethylamine
- (E)-1-(3,5-difluorophenyl)-3-(2,4-dimethoxyphenyl) prop-2-en-1-one
- 1-(3,5-difluorophenyl)-4,4,4-trifluorobutane-1,3-dione
| [General Description]
3′,5′-Difluoroacetophenone, also known as 1-(3,5-difluorophenyl)ethanone, is a fluorinated acetophenone. | [Synthesis]
The general procedure for the synthesis of 3,5-difluoroacetophenone from 1-(3,5-difluorophenyl)ethanol was carried out as follows: a solution of Dess-Martin periodontane (9.66 g, 22.8 mmol) was added batchwise to a solution of 1-(3,5-difluorophenyl)ethanol (3.00 g, 19.0 mmol) in dichloromethane (40 mL) under ice-bath cooling conditions. The reaction mixture was stirred at room temperature for 2 hours. Subsequently, the solvent was removed by concentration under reduced pressure. The residue was purified by silica gel column chromatography using a CombiFlash device eluting with a gradient of ethyl acetate/hexane (0-40%). Purification afforded 3,5-difluoroacetophenone (2.06 g, 69.6% yield) as a colorless oil. Its 1H NMR (300 MHz, CDCl3) data were as follows: δ 7.45 (m, 2H), 7.01 (m, 1H), 2.59 (s, 3H) ppm. | [References]
[1] Patent: US2014/200227, 2014, A1. Location in patent: Paragraph 1098; 1099 |
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