Cas no 1214338-27-8 (2-Bromo-1-(difluoromethyl)-3-fluorobenzene)

2-Bromo-1-(difluoromethyl)-3-fluorobenzene is a fluorinated aromatic compound featuring both bromo and difluoromethyl substituents on a benzene ring. Its unique structure makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications where selective fluorination is desired. The presence of bromine enhances reactivity for cross-coupling reactions, while the difluoromethyl group contributes to metabolic stability and lipophilicity. This compound is well-suited for use in Suzuki, Stille, or other palladium-catalyzed transformations. Its high purity and consistent performance ensure reliable results in complex synthetic pathways. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
2-Bromo-1-(difluoromethyl)-3-fluorobenzene structure
1214338-27-8 structure
Product Name:2-Bromo-1-(difluoromethyl)-3-fluorobenzene
CAS No:1214338-27-8
MF:C7H4BrF3
MW:225.005871772766
MDL:MFCD14698531
CID:4578219
PubChem ID:46311667
Update Time:2025-08-04

2-Bromo-1-(difluoromethyl)-3-fluorobenzene Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-(difluoromethyl)-3-fluorobenzene
    • 2-Bromo-3-fluorobenzal fluoride
    • Benzene, 2-bromo-1-(difluoromethyl)-3-fluoro-
    • BRIPPFBRTQDCPT-UHFFFAOYSA-N
    • SY070855
    • MFCD14698531
    • SCHEMBL18821338
    • AKOS024095307
    • 1214338-27-8
    • CS-0370789
    • 2-Bromo-1-(difluoromethyl)-3-fluoro-benzene
    • C91613
    • EN300-209466
    • 2-Bromo-1-(difluoromethyl)-3-fluorobenzene
    • MDL: MFCD14698531
    • Inchi: 1S/C7H4BrF3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,7H
    • InChI Key: BRIPPFBRTQDCPT-UHFFFAOYSA-N
    • SMILES: C1(C(F)F)=CC=CC(F)=C1Br

Computed Properties

  • Exact Mass: 223.94485g/mol
  • Monoisotopic Mass: 223.94485g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 129
  • 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: 3.3
  • Topological Polar Surface Area: 0?2

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Additional information on 2-Bromo-1-(difluoromethyl)-3-fluorobenzene

Comprehensive Guide to 2-Bromo-1-(difluoromethyl)-3-fluorobenzene (CAS No. 1214338-27-8)

2-Bromo-1-(difluoromethyl)-3-fluorobenzene (CAS No. 1214338-27-8) is a fluorinated aromatic compound widely used in pharmaceutical and agrochemical research. Its unique molecular structure, featuring bromine and difluoromethyl substituents, makes it a valuable intermediate in organic synthesis. Researchers and industries are increasingly interested in this compound due to its potential applications in drug discovery and material science.

The compound’s fluorobenzene backbone is a key feature, as fluorine incorporation often enhances metabolic stability and bioavailability in bioactive molecules. With the growing demand for fluorinated building blocks, 1214338-27-8 has gained attention in the development of novel therapeutics, particularly in oncology and CNS diseases. Its halogenated properties also make it useful in cross-coupling reactions, such as Suzuki-Miyaura and Buchwald-Hartwig couplings, which are pivotal in modern synthetic chemistry.

Recent trends in green chemistry have spurred interest in optimizing the synthesis of 2-Bromo-1-(difluoromethyl)-3-fluorobenzene to reduce environmental impact. Questions like "How to synthesize 2-Bromo-1-(difluoromethyl)-3-fluorobenzene efficiently?" or "What are the applications of fluorinated benzene derivatives?" are frequently searched in academic and industrial forums. This reflects the compound’s relevance in cutting-edge research.

From a commercial perspective, CAS 1214338-27-8 is often listed in catalogs of specialty chemical suppliers, catering to the demand for high-purity intermediates. Analytical techniques like NMR, HPLC, and mass spectrometry are critical for quality control, ensuring compliance with industry standards. Researchers also explore its structure-activity relationships (SAR) to design more effective compounds with reduced side effects.

In summary, 2-Bromo-1-(difluoromethyl)-3-fluorobenzene exemplifies the intersection of synthetic chemistry and applied sciences. Its versatility and the rising interest in fluorine chemistry underscore its importance in innovation-driven fields. For those seeking advanced chemical intermediates, this compound offers a compelling case study in molecular design and utility.

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