| Identification | More | [Name]
3-Bromo-4-fluoronitrobenzene | [CAS]
701-45-1 | [Synonyms]
2-BROMO-1-FLUORO-4-NITROBENZENE
2-FLUORO-5-NITROBROMOBENZENE
3-BROMO-4-FLUORONITROBENZENE
3-Bromo-4-fluoro-1-nitrobenzene
3-BROMO-4-FLUORONITROBENZENE, 98+%
1-Fluoro-2-bromo-4-nitrobenzene | [EINECS(EC#)]
211-855-6 | [Molecular Formula]
C6H3BrFNO2 | [MDL Number]
MFCD00055433 | [Molecular Weight]
220 | [MOL File]
701-45-1.mol |
| Chemical Properties | Back Directory | [Melting point ]
55°C | [Boiling point ]
250.6±20.0 °C(Predicted) | [density ]
1.808±0.06 g/cm3(Predicted) | [Fp ]
105° | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
Solid | [color ]
White or Colorless to Light yellow to Light orange | [Water Solubility ]
Slightly soluble in water. | [InChI]
1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H | [InChIKey]
FAWMTDSAMOCUAR-UHFFFAOYSA-N | [SMILES]
[O-][N+](=O)c1ccc(F)c(Br)c1 | [CAS DataBase Reference]
701-45-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [WGK Germany ]
WGK 3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29049090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
Light yellow solid | [Uses]
Reatant in the synthesis of N-fused tricyclic indoles, dimethyamine, benzofuran. | [Synthesis Reference(s)]
The Journal of Organic Chemistry, 63, p. 8448, 1998 DOI: 10.1021/jo981557o | [Synthesis]
Example 4: 3.0 g (0.054 mol) of iron powder was added to 250 g (1.77 mol) of 4-fluoronitrobenzene and the mixture was heated to 140 °C. Over a period of 9 hours, 450 g (2.81 mol) of bromine was slowly added dropwise and supplemented with 15 g (0.27 mol) of iron powder in batches. After the dropwise addition was completed, stirring of the reaction mixture was continued for 6 hours. After completion of the reaction, the mixture was filtered and the filtrate was dissolved in 530 g of hot hexane. After cooling the solution, 220 g of 3-bromo-4-fluoronitrobenzene crystals precipitated in a yield of 55.8% of the theoretical value, with the product having a melting point of 55.5°C-56.5°C and a purity of 99.0%. | [References]
[1] Patent: US4446075, 1984, A |
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