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3-Bromo-4-fluoronitrobenzene

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3-Bromo-4-fluoronitrobenzene manufacturers

3-Bromo-4-fluoronitrobenzene Basic information
Product Name:3-Bromo-4-fluoronitrobenzene
Synonyms: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;Benzene, 2-broMo-1-fluoro-4-nitro-;2-Bromo-1-fluoro-4-nitrobenzene 95%;Benzene, 2-broMo
CAS:701-45-1
MF:C6H3BrFNO2
MW:220
EINECS:211-855-6
Product Categories:Fluorinated benzene series;blocks;Bromides;FluoroCompounds;NitroCompounds
Mol File:701-45-1.mol
3-Bromo-4-fluoronitrobenzene Structure
3-Bromo-4-fluoronitrobenzene Chemical Properties
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.
InChI1S/C6H3BrFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H
InChIKeyFAWMTDSAMOCUAR-UHFFFAOYSA-N
SMILES[O-][N+](=O)c1ccc(F)c(Br)c1
CAS DataBase Reference701-45-1(CAS DataBase Reference)
Safety Information
Hazard Codes Xi,Xn
WGK Germany WGK 3
HazardClass IRRITANT
HS Code 29049090
Storage Class10 - Combustible liquids
Hazard ClassificationsAcute Tox. 4 Oral
MSDS Information
3-Bromo-4-fluoronitrobenzene Usage And Synthesis
Chemical PropertiesLight yellow solid
UsesReatant 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
Iron

7439-89-6

4-Fluoronitrobenzene

350-46-9

3-Bromo-4-fluoronitrobenzene

701-45-1

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
3-Bromo-4-fluoronitrobenzene Preparation Products And Raw materials
Raw materials4-Fluoronitrobenzene-->Iron-->2-Bromofluorobenzene-->Hexane
Preparation ProductsABBV-075-->1-(2-BroMo-4-nitrophenyl)pyrrolidine-->2-(2-bromo-4-nitrophenyl)acetonitrile
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