Cas no 105904-28-7 ((2-bromophenyl)(3-chlorophenyl)methanol)

(2-Bromophenyl)(3-chlorophenyl)methanol is a chiral benzhydrol derivative featuring both bromo and chloro substituents on its aromatic rings. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of halogen groups enhances its reactivity in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, while the hydroxyl group allows for further functionalization. Its well-defined structure and stability make it suitable for asymmetric synthesis and catalyst development. The compound is typically handled under inert conditions to preserve its integrity, and its purity is critical for high-yield transformations in complex synthetic pathways.
(2-bromophenyl)(3-chlorophenyl)methanol structure
105904-28-7 structure
Product Name:(2-bromophenyl)(3-chlorophenyl)methanol
CAS No:105904-28-7
MF:C13H10BrClO
MW:297.574902057648
MDL:MFCD12964382
CID:2103003
PubChem ID:18786969
Update Time:2025-10-29

(2-bromophenyl)(3-chlorophenyl)methanol Chemical and Physical Properties

Names and Identifiers

    • (2-bromophenyl)(3-chlorophenyl)methanol
    • (2-bromophenyl)-(3-chlorophenyl)methanol
    • 2-Bromo-3'-chlorobenzhydrol
    • SCHEMBL7372169
    • 105904-28-7
    • DA-15891
    • AKOS011081065
    • MDL： MFCD12964382
    • Inchi： 1S/C13H10BrClO/c14-12-7-2-1-6-11(12)13(16)9-4-3-5-10(15)8-9/h1-8,13,16H
    • InChI Key： KLRAZLFGXCVGCJ-UHFFFAOYSA-N
    • SMILES： BrC1C=CC=CC=1C(C1C=CC=C(C=1)Cl)O

Computed Properties

  • Exact Mass: 295.96036Da
  • Monoisotopic Mass: 295.96036Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 224
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.1
  • Topological Polar Surface Area: 20.2?2

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