Cas no 916792-17-1 (2-Bromo-4-fluoro-5-methylbenzaldehyde)

2-Bromo-4-fluoro-5-methylbenzaldehyde is a halogenated aromatic aldehyde with a molecular formula of C?H?BrFO. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its distinct substitution pattern—bromo and fluoro groups adjacent to a formyl functionality—enhances reactivity in cross-coupling reactions, nucleophilic substitutions, and metal-catalyzed transformations. The methyl group at the 5-position further modifies steric and electronic properties, enabling selective functionalization. The compound's high purity and stability under standard conditions make it suitable for precise synthetic workflows. Its utility in constructing complex molecular architectures underscores its importance in medicinal chemistry and material science research.
2-Bromo-4-fluoro-5-methylbenzaldehyde structure
916792-17-1 structure
Product Name:2-Bromo-4-fluoro-5-methylbenzaldehyde
CAS No:916792-17-1
MF:C8H6BrFO
MW:217.035045146942
MDL:MFCD07782045
CID:796914
PubChem ID:34175436
Update Time:2025-06-07

2-Bromo-4-fluoro-5-methylbenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4-fluoro-5-methylbenzaldehyde
    • 2-BROMO-5-FLUORO-4-METHYL BENZALDEHYDE
    • Benzaldehyde, 2-bromo-4-fluoro-5-methyl-
    • SCHEMBL15428162
    • 916792-17-1
    • 2-bromo-4-fluoro-5-methyl-benzaldehyde
    • A844037
    • FT-0602504
    • AKOS015835106
    • EN300-322886
    • DTXSID60652923
    • AM84207
    • Z1269169510
    • AS-33047
    • 2-bromanyl-4-fluoranyl-5-methyl-benzaldehyde
    • GVSFHINXVWRTPT-UHFFFAOYSA-N
    • MFCD07782045
    • 2-Bromo-4-fluoro-5-methyl benzaldehyde
    • DB-005197
    • 4-Fluoro-2-bromo-5-methylbenzaldehyde
    • DTXCID20603673
    • MDL: MFCD07782045
    • Inchi: 1S/C8H6BrFO/c1-5-2-6(4-11)7(9)3-8(5)10/h2-4H,1H3
    • InChI Key: GVSFHINXVWRTPT-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(C)=CC=1C=O)F

Computed Properties

  • Exact Mass: 215.95900
  • Monoisotopic Mass: 215.959
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 151
  • 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
  • Topological Polar Surface Area: 17.1A^2
  • XLogP3: 2.5

Experimental Properties

  • Density: 1.575
  • Boiling Point: 256.231°C at 760 mmHg
  • Flash Point: 108.765°C
  • Refractive Index: 1.575
  • PSA: 17.07000
  • LogP: 2.70910

2-Bromo-4-fluoro-5-methylbenzaldehyde Pricemore >>

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abcr
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