Cas no 1039823-53-4 (2-fluoro-n-(2-fluorobenzyl)-4-methylaniline)

2-Fluoro-N-(2-fluorobenzyl)-4-methylaniline is a fluorinated aromatic amine derivative characterized by its unique structural features, including two fluorine substituents and a benzylamine linkage. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a building block for bioactive molecules. The presence of fluorine atoms enhances metabolic stability and lipophilicity, which can improve pharmacokinetic properties in drug development. The methyl group at the 4-position further modifies electronic and steric properties, allowing fine-tuning of reactivity. Its well-defined structure and purity make it suitable for use in cross-coupling reactions, nucleophilic substitutions, and other synthetic transformations. The compound is typically handled under controlled conditions due to its amine functionality.
2-fluoro-n-(2-fluorobenzyl)-4-methylaniline structure
1039823-53-4 structure
Product Name:2-fluoro-n-(2-fluorobenzyl)-4-methylaniline
CAS No:1039823-53-4
MF:C14H13F2N
MW:233.2565305233
CID:1140077
PubChem ID:28879313
Update Time:2025-10-28

2-fluoro-n-(2-fluorobenzyl)-4-methylaniline Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-N-(2-fluorobenzyl)-4-methylaniline
    • AKOS009067495
    • 1039823-53-4
    • 2-fluoro-N-[(2-fluorophenyl)methyl]-4-methylaniline
    • 2-Fluoro-N-(2-fluorobenzyl)-4-Methylaniline, 97%
    • 2-fluoro-n-(2-fluorobenzyl)-4-methylaniline
    • MDL: MFCD11181451
    • Inchi: 1S/C14H13F2N/c1-10-6-7-14(13(16)8-10)17-9-11-4-2-3-5-12(11)15/h2-8,17H,9H2,1H3
    • InChI Key: HBUCENNMTSMUME-UHFFFAOYSA-N
    • SMILES: FC1C=C(C)C=CC=1NCC1C=CC=CC=1F

Computed Properties

  • Exact Mass: 233.10160574g/mol
  • Monoisotopic Mass: 233.10160574g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 234
  • 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: 4
  • Topological Polar Surface Area: 12?2

2-fluoro-n-(2-fluorobenzyl)-4-methylaniline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Cooke Chemical
F103521-250mg
2-Fluoro-N-(2-fluorobenzyl)-4-methylaniline
1039823-53-4 97
250mg
RMB 2681.60 2025-02-21
Cooke Chemical
F103521-1g
2-Fluoro-N-(2-fluorobenzyl)-4-methylaniline
1039823-53-4 97
1g
RMB 8585.60 2025-02-21

Additional information on 2-fluoro-n-(2-fluorobenzyl)-4-methylaniline

Comprehensive Overview of 2-Fluoro-N-(2-Fluorobenzyl)-4-Methylaniline (CAS No. 1039823-53-4): Properties, Applications, and Industry Insights

2-Fluoro-N-(2-fluorobenzyl)-4-methylaniline (CAS No. 1039823-53-4) is a fluorinated aromatic amine derivative with significant relevance in pharmaceutical and agrochemical research. This compound, characterized by its fluoro-substituted benzyl and methylaniline moieties, has garnered attention for its potential as a building block in drug discovery and specialty chemical synthesis. The presence of fluorine atoms enhances its lipophilicity and metabolic stability, making it valuable for designing bioactive molecules.

In recent years, the demand for fluorinated organic compounds like 2-fluoro-N-(2-fluorobenzyl)-4-methylaniline has surged due to their applications in developing PET imaging agents and targeted therapeutics. Researchers frequently search for "fluorobenzyl derivatives in drug design" or "CAS 1039823-53-4 supplier," reflecting its commercial and scientific importance. The compound’s unique structure allows for versatile functionalization, enabling its use in cross-coupling reactions and as a precursor for heterocyclic scaffolds.

From a synthetic chemistry perspective, 2-fluoro-N-(2-fluorobenzyl)-4-methylaniline exemplifies the growing trend toward late-stage fluorination strategies. Industry reports highlight its utility in optimizing ADME properties (Absorption, Distribution, Metabolism, Excretion) of lead compounds. Laboratories often inquire about "storage conditions for fluorinated anilines" or "safety data for CAS 1039823-53-4," underscoring the need for precise handling guidelines.

The compound’s role extends to material science, where its aromatic fluorine groups contribute to the development of liquid crystals and organic semiconductors. With the rise of green chemistry initiatives, researchers explore eco-friendly synthesis routes for such fluorinated intermediates. Popular queries like "biodegradability of fluorobenzyl compounds" align with global sustainability goals.

Analytical characterization of 1039823-53-4 typically involves NMR spectroscopy and HPLC purity analysis, with patents citing its use in kinase inhibitor development. Its logP value and hydrogen bonding capacity are frequently discussed in medicinal chemistry forums, addressing questions such as "how does fluorination affect aniline reactivity?"

In conclusion, 2-fluoro-N-(2-fluorobenzyl)-4-methylaniline represents a critical intermediate at the intersection of pharmaceutical innovation and advanced material engineering. Its CAS No. 1039823-53-4 serves as a key identifier for procurement and regulatory compliance, while ongoing research continues to unlock its potential in precision medicine and smart materials.

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