Cas no 111394-51-5 (5-(bromomethyl)-2-methoxyphenol)

5-(Bromomethyl)-2-methoxyphenol is a brominated aromatic compound featuring a methoxy and a hydroxymethyl substituent on the phenol ring. The bromomethyl group enhances its reactivity, making it a valuable intermediate in organic synthesis, particularly for alkylation or nucleophilic substitution reactions. Its methoxy and phenol functionalities contribute to its utility in pharmaceutical and agrochemical applications, where it may serve as a precursor for more complex structures. The compound’s defined molecular structure ensures consistent performance in synthetic pathways. Suitable for controlled reactions, it is often employed in research and industrial settings requiring precise functionalization of aromatic systems. Proper handling is advised due to its potential reactivity.
5-(bromomethyl)-2-methoxyphenol structure
111394-51-5 structure
Product Name:5-(bromomethyl)-2-methoxyphenol
CAS No:111394-51-5
MF:C8H9BrO2
MW:217.059861898422
CID:1203153
PubChem ID:13940383
Update Time:2025-06-09

5-(bromomethyl)-2-methoxyphenol Chemical and Physical Properties

Names and Identifiers

    • Phenol, 5-(bromomethyl)-2-methoxy-
    • 5-(bromomethyl)-2-methoxyphenol
    • DTXSID60552939
    • SCHEMBL6401380
    • EN300-1910562
    • 3-hydroxy-4-methoxybenzyl bromide
    • HJDXWELICJVYDY-UHFFFAOYSA-N
    • 111394-51-5
    • MDL: MFCD18397184
    • Inchi: 1S/C8H9BrO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5H2,1H3
    • InChI Key: HJDXWELICJVYDY-UHFFFAOYSA-N
    • SMILES: BrCC1C=CC(=C(C=1)O)OC

Computed Properties

  • Exact Mass: 215.97857
  • Monoisotopic Mass: 215.97859g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 119
  • 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: 2.1
  • Topological Polar Surface Area: 29.5?2

Experimental Properties

  • PSA: 29.46

5-(bromomethyl)-2-methoxyphenol Pricemore >>

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