ChemicalBook--->CAS DataBase List--->163733-99-1

163733-99-1

163733-99-1 Structure

163733-99-1 Structure
IdentificationBack Directory
[Name]

4-AMINO-2,3-DIFLUORO-PHENOL
[CAS]

163733-99-1
[Synonyms]

4-AMINO-2,3-DIFLUORO-PHENOL
2,3-DIFLUORO-4-HYDROXYANILINE
Phenol, 4-amino-2,3-difluoro- (9CI)
[Molecular Formula]

C6H5F2NO
[MDL Number]

MFCD03094494
[MOL File]

163733-99-1.mol
[Molecular Weight]

145.11
Chemical PropertiesBack Directory
[Appearance]

brown toblack powde
[Melting point ]

ca 153℃
[Boiling point ]

255.5±40.0 °C(Predicted)
[density ]

1.472±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[form ]

powder
[pka]

7.99±0.23(Predicted)
[color ]

Black
Hazard InformationBack Directory
[Chemical Properties]

brown toblack powde
[Uses]

4-Amino-2,3-difluorophenol is one of the 4-aminophenol metabolites used to study dehalogenation.
[Synthesis]

1-(Benzyloxy)-2,3-Difluoro-4-Nitrobenzene

868735-81-3

4-AMINO-2,3-DIFLUORO-PHENOL

163733-99-1

Under hydrogen atmosphere (30 psi), 1-benzyloxy-2,3-difluoro-4-nitrobenzene (14 g, 52.8 mmol) was dissolved in methanol (200 mL), 10% Pd/C catalyst (1.4 g, 1.3 mmol) was added, and the reaction was stirred for 2 hours. After completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated in vacuum to afford 4-amino-2,3-difluorophenol (7 g, 92% yield). The structure of the product was confirmed by 1H NMR (400 MHz, DMSO-d6): δ 9.05 (s, 1H), 6.45 (t, J = 8.8 Hz, 1H), 6.34 (t, J = 9.2 Hz, 1H), 4.67 (s, 2H); Mass Spectra (ESI) m/z: 146.1 [M + H]+.

[References]

[1] Patent: US2008/90856, 2008, A1. Location in patent: Page/Page column 41
[2] Patent: WO2010/51373, 2010, A1. Location in patent: Page/Page column 61
[3] Patent: WO2013/36232, 2013, A2. Location in patent: Paragraph 00279
[4] Patent: WO2013/180949, 2013, A1. Location in patent: Paragraph 0180
[5] Patent: WO2014/22116, 2014, A2. Location in patent: Paragraph 0177
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H311-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P310a-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[RIDADR ]

UN2928
[Hazard Note ]

Irritant
[HazardClass ]

6.1, 8
[HS Code ]

2908990000
Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINO-2,3-DIFLUORO-PHENOL(163733-99-1)1HNMR
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