| Identification | More | [Name]
1-BROMO-4-FLUORO-2-NITROBENZENE | [CAS]
446-09-3 | [Synonyms]
1-BROMO-4-FLUORO-2-NITROBENZENE
2-BROMO-5-FLUORONITROBENZENE
2-Bromo-5-fluoronitrobenzene 98%
2-Bromo-5-fluoronitrobenzene98%
1-Bromo-2-nitro-4-fluorobenzene | [EINECS(EC#)]
207-160-2 | [Molecular Formula]
C6H3BrFNO2 | [MDL Number]
MFCD00055530 | [Molecular Weight]
220 | [MOL File]
446-09-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
37-39°C | [Boiling point ]
148-150°C 35mm | [density ]
1.808±0.06 g/cm3(Predicted) | [Fp ]
148-150°C/35mm | [storage temp. ]
Sealed in dry,Room Temperature | [form ]
powder to lump to clear liquid | [color ]
White or Colorless to Yellow to Green | [BRN ]
2364227 | [InChI]
InChI=1S/C6H3BrFNO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H | [InChIKey]
XRXNWKIKQFEOGO-UHFFFAOYSA-N | [SMILES]
C1(Br)=CC=C(F)C=C1[N+]([O-])=O | [CAS DataBase Reference]
446-09-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [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 . | [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 . | [RIDADR ]
UN2811 | [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29049090 |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow powder | [Uses]
1-Bromo-4-fluoro-2-nitrobenzene serves as a reference for the analogous preparation of 2-bromo-4-fluoro-1-nitrobenzene[4]. The compound acts as a precursor in the synthesis of indole derivatives, including 7-bromo-4-fluoroindole, 4-fluoro-1H-indole-7-carbonitrile, and para-substituted precursors via linear pathways[4][5][8]. Furthermore, It functions as a reagent in coupling reactions with thiosalicylic acid or 5-chloro-2-aminobenzoic acid derivatives to produce substituted benzamides and benzoic acids[6][7]. | [Synthesis]
General procedure for the synthesis of 2-bromo-5-fluoronitrobenzene from 2-nitro-4-fluorobenzoic acid: 6.2 mg of silver sulfate, 36.3 mg of copper acetate, 12.5 mg of 2,9-dimethyl-1,10-o-phenanthroline, 37 mg of 2-nitro-4-fluorobenzoic acid, and 30.9 mg of sodium bromide were sequentially added to a Silak reactor tube fitted with a magnetic stirrer, followed by 4 mL of dimethyl sulfoxide as solvent. The reaction mixture was heated to 160°C under an oxygen atmosphere with continuous stirring for 24 hours. Upon completion of the reaction, distilled water was added to the reaction mixture to quench the reaction, followed by extraction with ethyl acetate three times at 10 mL each. the organic phases were combined, and 21.1 mg of 2-bromo-5-fluoronitrobenzene was obtained after concentration in 48% yield. | [References]
[1] Journal of Organic Chemistry, 2016, vol. 81, # 7, p. 2794 - 2803
[2] Patent: CN107325002, 2017, A. Location in patent: Paragraph 0067
[3] Organic and Biomolecular Chemistry, 2018, vol. 16, # 30, p. 5416 - 5421 |
|
| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
|
| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
|