Cas no 1131-12-0 (Phenol, 2,4-dibromo-5-(1,1-dimethylethyl)-)

Phenol, 2,4-dibromo-5-(1,1-dimethylethyl)-, is a brominated phenolic compound characterized by its high reactivity and stability due to the presence of two bromine atoms and a tert-butyl group. The bromine substituents enhance its utility as an intermediate in organic synthesis, particularly in the production of flame retardants and agrochemicals. The tert-butyl group contributes to steric hindrance, improving thermal and oxidative stability. This compound is valued for its efficient halogenation properties and compatibility with various industrial processes. Its structural features make it suitable for applications requiring controlled reactivity and resistance to degradation under harsh conditions.
Phenol, 2,4-dibromo-5-(1,1-dimethylethyl)- structure
1131-12-0 structure
Product Name:Phenol, 2,4-dibromo-5-(1,1-dimethylethyl)-
CAS No:1131-12-0
MF:C10H12Br2O
MW:308.00968170166
CID:1201024
PubChem ID:12336217
Update Time:2025-05-26

Phenol, 2,4-dibromo-5-(1,1-dimethylethyl)- Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2,4-dibromo-5-(1,1-dimethylethyl)-
    • 2,4-dibromo-5-t-butylphenol
    • MFCD22054345
    • 2,4-Dibromo-5-(t-butyl)phenol
    • 2,4-dibromo-5-(tert-butyl)phenol
    • SCHEMBL6223425
    • 1131-12-0
    • Inchi： 1S/C10H12Br2O/c1-10(2,3)6-4-9(13)8(12)5-7(6)11/h4-5,13H,1-3H3
    • InChI Key： AYRCPFQQDURIRN-UHFFFAOYSA-N
    • SMILES： BrC1=CC(=C(C=C1C(C)(C)C)O)Br

Computed Properties

  • Exact Mass: 305.92546
  • Monoisotopic Mass: 305.92549g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 176
  • 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: 4.6
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

Phenol, 2,4-dibromo-5-(1,1-dimethylethyl)- Pricemore >>

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