Cas no 123856-15-5 (6-Bromo-2-methoxy-1-nitronaphthalene)

6-Bromo-2-methoxy-1-nitronaphthalene is a substituted naphthalene derivative featuring bromo, methoxy, and nitro functional groups. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty dyes. Its distinct substitution pattern enables selective reactivity, facilitating further functionalization at specific positions on the naphthalene core. The presence of both electron-donating (methoxy) and electron-withdrawing (nitro, bromo) groups enhances its versatility in cross-coupling reactions and nucleophilic aromatic substitutions. The compound is typically characterized by high purity and stability under standard storage conditions, making it suitable for research and industrial applications requiring precise structural modifications.
6-Bromo-2-methoxy-1-nitronaphthalene structure
123856-15-5 structure
Product Name:6-Bromo-2-methoxy-1-nitronaphthalene
CAS No:123856-15-5
MF:C11H8BrNO3
MW:282.0901222229
CID:1092205
PubChem ID:22097187
Update Time:2025-06-08

6-Bromo-2-methoxy-1-nitronaphthalene Chemical and Physical Properties

Names and Identifiers

    • 6-Bromo-2-methoxy-1-nitronaphthalene
    • DTXSID70622399
    • 123856-15-5
    • VQUIAHIZENASND-UHFFFAOYSA-N
    • Naphthalene, 6-bromo-2-methoxy-1-nitro-
    • SCHEMBL6120739
    • Z2044749768
    • BS-19577
    • EN300-7416255
    • 6-bromo-2-methoxy-1-nitro-naphthalene
    • 6-bromo-2 methoxy-1-nitronaphthalene
    • DB-118625
    • Inchi: 1S/C11H8BrNO3/c1-16-10-5-2-7-6-8(12)3-4-9(7)11(10)13(14)15/h2-6H,1H3
    • InChI Key: VQUIAHIZENASND-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C(=CC=C2C=1)OC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 280.96876g/mol
  • Monoisotopic Mass: 280.96876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 268
  • 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: 3.7
  • Topological Polar Surface Area: 55?2

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