Identification | More | [Name]
2-AMINO-4-FLUOROPHENOL | [CAS]
399-97-3 | [Synonyms]
2-AMINO-4-FLUOROPHENOL Aminofluorophenol1 2-Amino-4-fluorophenol 98% 2-Amino-4-fluorophenol98% 6007 2-AMINO-4-FLUORO PHENOL 5-Fluoro-2-hydroxyaniline | [EINECS(EC#)]
625-852-6 | [Molecular Formula]
C6H6FNO | [MDL Number]
MFCD00077451 | [Molecular Weight]
127.12 | [MOL File]
399-97-3.mol |
Chemical Properties | Back Directory | [Melting point ]
130-135 °C | [Boiling point ]
252.9±25.0 °C(Predicted) | [density ]
1.347±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
9.77±0.18(Predicted) | [color ]
Light yellow to Brown | [InChI]
InChI=1S/C6H6FNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2 | [InChIKey]
ULDFRPKVIZMKJG-UHFFFAOYSA-N | [SMILES]
C1(O)=CC=C(F)C=C1N | [CAS DataBase Reference]
399-97-3(CAS DataBase Reference) |
Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [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 . R22:Harmful if swallowed. | [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 . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29222990 |
Hazard Information | Back Directory | [Chemical Properties]
White to brown solid | [Synthesis]
The general procedure for the synthesis of 2-amino-4-fluorophenol from 2-nitro-4-fluorophenol was as follows: tin(II) chloride (12.1 g, 63.6 mmol) was added to a solution of 4-fluoro-2-nitrophenol (2.00 g, 12.7 mmol) in ethanol (45 mL). The reaction mixture was heated to 70 °C and maintained at this temperature for 2 hours. Upon completion of the reaction, the mixture was cooled to room temperature and subsequently poured into ice water (~200 mL). After the mixture was warmed to room temperature, the pH was adjusted with 2N NaOH aqueous solution to about 9. The reaction mixture was filtered and the filtrate was extracted with ethyl acetate (3×). The organic phases were combined, dried with anhydrous sodium sulfate, filtered and the organic phase was concentrated under reduced pressure. 1.21 g (75% yield) of 2-amino-4-fluorophenol was finally obtained.Results of LC-MS analysis: retention time (RT) = 4.48 min, [M + H]+ = 128.0. | [References]
[1] Patent: EP1346982, 2003, A1 [2] Inorganic Chemistry, 2010, vol. 49, # 23, p. 11106 - 11117 [3] Patent: WO2007/146066, 2007, A2. Location in patent: Page/Page column 80 [4] Journal of Organic Chemistry, 1951, vol. 16, p. 1345,1348 [5] J. Gen. Chem. USSR (Engl. Transl.), 1975, vol. 45, p. 2372 - 2379 |
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