| Identification | More | [Name]
4-BROMO-2,6-DIFLUOROPHENOL | [CAS]
104197-13-9 | [Synonyms]
4-BROMO-2,6-DIFLUOROPHENOL
2,6-Difluoro-4-Bromophenol 4-Bromo-2,6-Difluoro Phenol
2,6-Difluoro-4-bromophenol
4-Bromo-2,6-difluorophenol 98%
4-Bromo-2,6-difluorophenol98% | [EINECS(EC#)]
642-788-4 | [Molecular Formula]
C6H3BrF2O | [MDL Number]
MFCD00236213 | [Molecular Weight]
208.99 | [MOL File]
104197-13-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
50°C | [Boiling point ]
180.2±35.0 °C(Predicted) | [density ]
1.858±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [pka]
6.89±0.23(Predicted) | [Appearance]
Off-white to light yellow Solid | [BRN ]
8543473 | [InChI]
InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H | [InChIKey]
GPRPSJPFAAGLCA-UHFFFAOYSA-N | [SMILES]
C1(O)=C(F)C=C(Br)C=C1F | [CAS DataBase Reference]
104197-13-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and 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 . | [Hazard Note ]
Harmful | [HazardClass ]
IRRITANT | [HS Code ]
2908190090 |
| Hazard Information | Back Directory | [Chemical Properties]
White crystalline | [Synthesis]
To a solution of 2,6-Difluorophenol (10.0 g, 76.86 mmol) in DMF (60 mL), N-bromosuccinimide (13.68 g, 76.86 mmol) was added at 0° C. and stirred at RT for 20 h. The reaction mixture was concentrated, diluted with water and extracted with ethyl acetate. The organic layer was dried over sodium sulphate and concentrated under reduced pressure to afford 4-Bromo-2,6-difluorophenol as a light yellow liquid (15.1 g, 93 percent yield). 1H-NMR (δ ppm, DMSO-D6, 400 MHz): δ 10.49 (s, 1H), 7.35 (d, J=6.2 Hz, 2H).
| [References]
[1] Patent: US2011/118257, 2011, A1. Location in patent: Page/Page column 100
[2] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 3, p. 608 - 617
[3] Patent: WO2014/209034, 2014, A1. Location in patent: Paragraph 410; 411; 412
[4] Journal of Medicinal Chemistry, 2016, vol. 59, # 7, p. 3183 - 3203
[5] Patent: EP3239143, 2017, A2. Location in patent: Paragraph 0101 |
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