| Identification | More | [Name]
2-Bromo-4-fluorophenol | [CAS]
496-69-5 | [Synonyms]
2-BROMO-4-FLUOROPHENOL
2-Bromo-4-fluorophenol,98+%
2-Bromo-4-fluorophenol 97%
2-Bromo-4-fluorophenol97%
2-BROMO-4-FLUOROPHENOL 99+% | [Molecular Formula]
C6H4BrFO | [MDL Number]
MFCD00010614 | [Molecular Weight]
191 | [MOL File]
496-69-5.mol |
| Chemical Properties | Back Directory | [Appearance]
light brown to brown crystalline solid | [Melting point ]
43-45 °C (lit.) | [Boiling point ]
89 °C/1 mmHg (lit.) | [density ]
1.744
| [refractive index ]
1.554 | [Fp ]
185 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Crystalline Solid | [pka]
8.44±0.18(Predicted) | [color ]
Light brown to brown | [BRN ]
2355593 | [InChI]
InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H | [InChIKey]
MEYRABVEYCFHHB-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=C(F)C=C1Br | [CAS DataBase Reference]
496-69-5(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
3276 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [PackingGroup ]
III | [HS Code ]
29071990 |
| Hazard Information | Back Directory | [Chemical Properties]
light brown to brown crystalline solid | [Uses]
2-Bromo-4-fluorophenol was used in preparation of 4,4-difluoro-2-bromo-cyclohexadienone and 6-(aminomethylphenoxy)benzoxaborole analogs. | [Synthesis]
GENERAL METHOD: BiCl3 (30 mol%) was added to a stirred solution of MeCN/H2O (5:0.1 mL; 5:0.1 v/v) containing MOM-protected phenol (1 mmol). The reaction mixture was stirred at 50 °C until the reaction was complete (monitored by TLC). Upon completion of the reaction, the mixture was filtered using CH2Cl2 (10 mL) over a pad of diatomaceous earth. The filtrate was dried with anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent hexane/EtOAc mixture) to afford the target product 2-bromo-4-fluorophenol in 76-95% yield. All phenolic products were analyzed by IR and NMR spectroscopy and verified by comparison with real samples. | [References]
[1] Synthetic Communications, 2016, vol. 46, # 7, p. 586 - 593 |
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