| Identification | Back Directory | [Name]
4-BROMO-5-FLUORO-2-METHYLANILINE | [CAS]
52723-82-7 | [Synonyms]
4-Bromo-5-fluoro-o-toluidine
Methyl-4-bromo-5-fluoroaniline
2-Amino-4-fluoro-5-bromotoluene
2-Methyl-4-bromo-5-fluoroaniline
4-BROMO-5-FLUORO-2-METHYLANILINE
4-bromo-5-fluoro-2-methylbenzenamine
Benzenamine, 4-bromo-5-fluoro-2-methyl- | [Molecular Formula]
C7H7BrFN | [MDL Number]
MFCD04973753 | [MOL File]
52723-82-7.mol | [Molecular Weight]
204.04 |
| Chemical Properties | Back Directory | [Melting point ]
77-80°C | [Boiling point ]
245℃ | [density ]
1.589 | [Fp ]
102℃ | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [form ]
powder | [pka]
2.73±0.10(Predicted) | [color ]
Creamy beige | [InChI]
InChI=1S/C7H7BrFN/c1-4-2-5(8)6(9)3-7(4)10/h2-3H,10H2,1H3 | [InChIKey]
BRAZFTXACIZDRP-UHFFFAOYSA-N | [SMILES]
C1(N)=CC(F)=C(Br)C=C1C |
| Hazard Information | Back Directory | [Chemical Properties]
Type of white solid | [Synthesis]
General procedure for the synthesis of 4-bromo-5-fluoro-2-methylaniline from 5-fluoro-2-methylaniline: In a dry reaction flask, N-bromosuccinimide (NBS, 14.22 g, 80 mmol), 5-fluoro-2-methylaniline (10 g, 80 mmol), and N,N-dimethylformamide (DMF, 200 mL) were added in sequence. The reaction mixture was stirred at 25°C for 12 hours. Upon completion of the reaction, the mixture was slowly poured into ice water and a solid was precipitated. The solid was collected by filtration and washed with cold water to afford 4-bromo-5-fluoro-2-methylaniline (13 g, 71% yield) as a yellow solid. Product mass spectral data: LC-MS m/z 204 ([M + H]+), retention time 1.68 min. | [References]
[1] Patent: WO2016/203401, 2016, A1. Location in patent: Page/Page column 72
[2] Patent: WO2018/104766, 2018, A1. Location in patent: Page/Page column 72 |
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