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1016234-89-1

1016234-89-1 Structure

1016234-89-1 Structure
IdentificationBack Directory
[Name]

2-AMino-4-broMo-5-fluorophenol
[CAS]

1016234-89-1
[Synonyms]

5-Bromo-4-fluoro-2-hydroxyaniline
Phenol, 2-amino-4-bromo-5-fluoro-
2-AMino-4-broMo-5-fluorophenol ISO 9001:2015 REACH
[Molecular Formula]

C6H5BrFNO
[MDL Number]

MFCD11101429
[MOL File]

1016234-89-1.mol
[Molecular Weight]

206.01
Chemical PropertiesBack Directory
[Boiling point ]

288.7±40.0 °C(Predicted)
[density ]

1.863±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder
[pka]

8.21±0.23(Predicted)
[color ]

Dark brown
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P280
[HS Code ]

2922290090
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMino-4-broMo-5-fluorophenol(1016234-89-1)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Bromo-5-fluoro-2-nitrophenol

1016234-87-9

2-AMino-4-broMo-5-fluorophenol

1016234-89-1

GENERAL STEPS: A suspension of sodium conodisulfite (Na2S2O4, 51.6 g, 296 mmol) in water (122 mL) was slowly added to a refluxed solution of 4-bromo-5-fluoro-2-nitrophenol (14 g, 59.3 mmol) in ethanol (1000 mL). The reaction mixture was continued to reflux for 1 hour. After completion of the reaction, it was cooled to room temperature and filtered to remove the resulting salt. The filtrate was partially concentrated and subsequently saturated aqueous sodium chloride solution was added and extracted with ether. The organic phases were combined, dried with anhydrous sodium sulfate and concentrated under reduced pressure to afford the crude 2-amino-4-bromo-5-fluorophenol (9.2 g, 75% yield), which was used in the subsequent reaction without further purification.1H-NMR (400 MHz, DMSO-d6) δ: 4.65 (br s, 2H, NH2), 6.60 (d, J = 11.3 Hz, 1H ArH), 6.76 (d, J = 7.8 Hz, 1H, ArH), 9.80 (br s, 1H, OH).

[References]

[1] Patent: WO2008/37746, 2008, A1. Location in patent: Page/Page column 15
[2] Patent: US2008/90804, 2008, A1. Location in patent: Page/Page column 7
[3] Patent: WO2008/37746, 2008, A1. Location in patent: Page/Page column 15
[4] Patent: WO2010/130773, 2010, A2. Location in patent: Page/Page column 66
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