| Identification | More | [Name]
3'-Bromo-4'-fluoroacetophenone | [CAS]
1007-15-4 | [Synonyms]
1-(3-bromo-4-fluorophenyl)ethan-1-one
1-(3-BROMO-4-FLUOROPHENYL)ETHANONE
3'-BROMO-4'-FLUOROACETOPHENONE
3-BROMO-4-FLUOROACETOPHENONE
3'-Bromo-4'-fluoroacetophenone97%
3-BROMO-4-FLUOROACETOPHENONE 98+%
3'-Bromo-4'-fluoroacetophenone
Ethanone, 1-(3-bromo-4-fluorophenyl)-
3-Bromo-4-fluorophenyl(methyl) ketone | [EINECS(EC#)]
213-750-0 | [Molecular Formula]
C8H6BrFO | [MDL Number]
MFCD00042466 | [Molecular Weight]
217.04 | [MOL File]
1007-15-4.mol |
| Chemical Properties | Back Directory | [Appearance]
White to yellowish low melting soli | [Melting point ]
52-57 °C(lit.) | [Boiling point ]
150°C 12mm | [density ]
1.5728 (rough estimate) | [refractive index ]
1.5450 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to crystal | [color ]
White to Orange to Green | [BRN ]
3088698 | [InChI]
1S/C8H6BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-4H,1H3 | [InChIKey]
SZDWTGAORQQQGY-UHFFFAOYSA-N | [SMILES]
CC(=O)c1ccc(F)c(Br)c1 | [CAS DataBase Reference]
1007-15-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29147000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
White to yellowish low melting soli | [Uses]
3′-Bromo-4′-fluoroacetophenone is also referred as 3-bromo-4-fluoro-acetophenone. Palladium-catalyzed amination of 3-bromo-4-fluoro-acetophenone has been reported. | [General Description]
3′-Bromo-4′-fluoroacetophenone is also referred as 3-bromo-4-fluoro-acetophenone. Palladium-catalyzed amination of 3-bromo-4-fluoro-acetophenone has been reported. | [Synthesis]
Example A5: Synthesis of 1-(3,5-dibromo-4-fluorophenyl)ethan-1-one and 1-(3-bromo-4-fluorophenyl)ethan-1-one
69 g (0.5 mol) of 4-fluoroacetophenone was slowly added dropwise to 200.0 g (1.5 mol) of finely powdered aluminum and heated to 70 °C with stirring. The reaction temperature was maintained at 75-80 °C for 20 min, followed by the slow addition of 184 g (1.15 mol) of bromine at the same temperature over a period of 2.5 hours. After completion of the reaction, the mixture was heated to 90 °C and maintained for 3 hours. After cooling, decolorization was carried out and then the mixture was partitioned between water and tert-butyl methyl ether. The organic phase was separated to give 130 g of brownish black oil. The oily substance was separated by column chromatography on toluene, using toluene as eluent, to give a two-part product:
a) 41.2 g (28% of theoretical yield) of colorless crystals with a melting point of 59-62 °C and an Rf = 0.53 (toluene). Identified by spectral analysis as 1-(3,5-dibromo-4-fluorophenyl)-1-ethanone. IR (KBr): 1685 (C=O) cm?1; MS: M? = 294/296/298 (Br?). b) 41.2 g (28% of the theoretical yield) colorless crystals, melting point 59-62 °C, Rf = 0.53 (toluene).
b) 46.0 g (42% of theoretical yield) colorless crystals, melting point 52-55 °C, Rf = 0.41 (toluene). Identified by spectral analysis as 1-(3-bromo-4-fluorophenyl)-1-ethanone. IR (KBr): 1682 (C=O) cm?1; MS: M? = 216/218 (Br). c) 46.0 g (42% of theoretical yield) colorless crystals, melting point 52-55 °C, Rf = 0.41 (toluene). | [References]
[1] Patent: US7230001, 2007, B1. Location in patent: Page/Page column 67-68 |
|
|