Cas no 1153252-25-5 (N-Methyl 5-bromo-2-fluoroaniline)

N-Methyl 5-bromo-2-fluoroaniline is a halogenated aromatic amine derivative with applications in pharmaceutical and agrochemical synthesis. The compound features a bromo and fluoro substituent on the benzene ring, enhancing its reactivity in cross-coupling reactions such as Suzuki or Buchwald-Hartwig couplings. The N-methyl group improves solubility in organic solvents, facilitating its use in diverse synthetic pathways. Its structural properties make it a valuable intermediate for constructing complex molecules, particularly in drug discovery and material science. High purity and stability under standard conditions ensure consistent performance in laboratory and industrial settings. Proper handling is advised due to potential sensitivity to light and moisture.
N-Methyl 5-bromo-2-fluoroaniline structure
1153252-25-5 structure
Product Name:N-Methyl 5-bromo-2-fluoroaniline
CAS No:1153252-25-5
MF:C7H7BrFN
MW:204.03958439827
MDL:MFCD09745011
CID:857013
PubChem ID:43555744
Update Time:2025-10-19

N-Methyl 5-bromo-2-fluoroaniline Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-fluoro-N-methylaniline
    • N-Methyl 5-bromo-2-fluoroaniline
    • SCHEMBL9231547
    • 3-Bromo-6-fluoro-N-methylaniline
    • DTXSID40656166
    • N-methyl-5-bromo-2-fluoroaniline
    • AC3023
    • EN300-7186395
    • AKOS009578738
    • CS-0208001
    • Benzenamine, 5-bromo-2-fluoro-N-methyl-
    • 1153252-25-5
    • MFCD09745011
    • 5-Bromo-2-fluoro-N-methylbenzenamine
    • SB77926
    • BS-19466
    • SY246503
    • DB-361430
    • MDL: MFCD09745011
    • Inchi: 1S/C7H7BrFN/c1-10-7-4-5(8)2-3-6(7)9/h2-4,10H,1H3
    • InChI Key: CICFTLHOMUTOBN-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(=C1)NC)F

Computed Properties

  • Exact Mass: 202.97459g/mol
  • Monoisotopic Mass: 202.97459g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 110
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 12?2

N-Methyl 5-bromo-2-fluoroaniline Pricemore >>

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Additional information on N-Methyl 5-bromo-2-fluoroaniline

N-Methyl 5-Bromo-2-Fluoroaniline (CAS No. 1153252-25-5)

N-Methyl 5-bromo-2-fluoroaniline is a highly specialized organic compound with the CAS registry number 1153252-25-5. This compound belongs to the class of anilines, which are aromatic amines with a benzene ring and an amino group (-NH?). The presence of substituents such as methyl, bromo, and fluoro groups on the benzene ring imparts unique chemical and physical properties to this compound, making it valuable in various applications.

The structure of N-Methyl 5-bromo-2-fluoroaniline consists of a benzene ring with three substituents: a methyl group attached to the nitrogen atom (N-methyl), a bromine atom at the 5-position, and a fluorine atom at the 2-position. This substitution pattern significantly influences the compound's reactivity, solubility, and stability. The bromine and fluorine atoms are electron-withdrawing groups, which deactivate the aromatic ring and direct incoming electrophiles to specific positions during reactions.

Recent studies have highlighted the importance of N-Methyl 5-bromo-2-fluoroaniline in drug discovery and development. Its unique electronic properties make it an ideal candidate for use as an intermediate in the synthesis of various bioactive compounds. For instance, researchers have explored its potential in creating novel anti-cancer agents by leveraging its ability to form stable bonds with other functional groups.

In addition to its role in pharmaceuticals, N-Methyl 5-bromo-2-fluoroaniline has found applications in materials science. Its ability to undergo various coupling reactions has made it a valuable precursor in the synthesis of advanced materials such as polymers and nanoparticles. The compound's stability under harsh reaction conditions further enhances its utility in these applications.

From a chemical synthesis perspective, N-Methyl 5-bromo-2-fluoroaniline can be synthesized through several routes, including nucleophilic aromatic substitution and coupling reactions. The choice of synthesis method depends on the availability of starting materials and the desired purity of the final product. Recent advancements in catalytic methods have improved the efficiency and selectivity of these reactions, leading to higher yields and better quality products.

The physical properties of N-Methyl 5-bromo-2-fluoroaniline include a melting point of approximately 140°C and a boiling point around 380°C under standard conditions. Its solubility in common solvents such as dichloromethane and ethyl acetate makes it suitable for use in various organic reactions. The compound is also relatively stable under normal storage conditions, provided it is protected from moisture and light.

From an environmental standpoint, N-Methyl 5-bromo-2-fluoroaniline has been studied for its potential impact on ecosystems. Research indicates that it is biodegradable under certain conditions, though its persistence in aquatic environments requires further investigation. Regulatory agencies have established guidelines for handling this compound to minimize its environmental footprint.

In conclusion, N-Methyl 5-bromo-2-fluoroaniline (CAS No. 1153252-25-5) is a versatile compound with significant applications in pharmaceuticals, materials science, and organic synthesis. Its unique chemical properties and reactivity make it an essential building block for researchers and industry professionals alike. As ongoing research continues to uncover new uses for this compound, its importance in various fields is expected to grow further.

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