| Identification | More | [Name]
2-Bromo-1-(3-fluorophenyl)ethan-1-one | [CAS]
53631-18-8 | [Synonyms]
2-BROMO-1-(3-FLUOROPHENYL)ETHAN-1-ONE
2-BROMO-3'-FLUOROACETOPHENONE
3-FLUOROPHENACYL BROMIDE
ALPHA-BROMO-3-FLUOROACETOPHENONE
BUTTPARK 35\01-52
Ethanone, 2-bromo-1-(3-fluorophenyl)-(9CI)
3-Fluorophenacyl bromide 95%
3-Fluorophenacylbromide95%
2-Bromo-1-(3-fluorophenyl)propan-1-one
2-bromo-1-(3-fluorophenyl)ethanone
3-Fluorophenacyl bromide ,97% | [EINECS(EC#)]
628-038-9 | [Molecular Formula]
C8H6BrFO | [MDL Number]
MFCD00109756 | [Molecular Weight]
217.04 | [MOL File]
53631-18-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
34-35 | [Boiling point ]
76°C 0,09mm | [density ]
1.568±0.06 g/cm3(Predicted) | [Fp ]
110 °C | [storage temp. ]
Keep Cold | [form ]
solid | [color ]
Faint to light yellow | [Sensitive ]
Lachrymatory | [Detection Methods]
HPLC | [InChI]
InChI=1S/C8H6BrFO/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2 | [InChIKey]
ITAQNNGDCNFGID-UHFFFAOYSA-N | [SMILES]
C(=O)(C1=CC=CC(F)=C1)CBr | [CAS DataBase Reference]
53631-18-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S27:Take off immediately all contaminated clothing . | [RIDADR ]
UN 3335 | [WGK Germany ]
3 | [Hazard Note ]
Corrosive/Lachrymatory/Keep Cold | [HazardClass ]
LACHRYMATOR, CORROSIVE | [HS Code ]
29147000 |
| Hazard Information | Back Directory | [Chemical Properties]
White solid | [Synthesis]
GENERAL METHODS: Oxone (1.352 g, 2.2 mmol) was added to a well-stirred methanol (10 mL) solution of m-fluoroacetophenone (2 mmol) and NH4Br (0.215 g, 2.2 mmol) and the reaction mixture was stirred at room temperature (or reflux temperature). The progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the reaction mixture was quenched with aqueous sodium thiosulfate and extracted with ethyl acetate (3 × 25 mL). The organic layers were combined, washed with water, dried over anhydrous sodium sulfate, filtered, and concentrated in vacuum to remove the solvent to give the crude product. The crude product was further purified by silica gel column chromatography (200-300 mesh) to give pure 2-bromo-3'-fluoroacetophenone. All products were structurally confirmed by 1H NMR and mass spectrometry data. | [References]
[1] Tetrahedron Letters, 2012, vol. 53, # 2, p. 191 - 195
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 15, p. 6572 - 6582
[3] Patent: WO2008/46598, 2008, A1. Location in patent: Page/Page column 92
[4] RSC Advances, 2014, vol. 4, # 107, p. 62308 - 62320
[5] Journal of Organic Chemistry, 2013, vol. 78, # 14, p. 7312 - 7317 |
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