Cas no 22794-95-2 (1-Bromo-2,4-dimethoxy-3-methylbenzene)

1-Bromo-2,4-dimethoxy-3-methylbenzene structure
22794-95-2 structure
Product Name:1-Bromo-2,4-dimethoxy-3-methylbenzene
CAS No:22794-95-2
MF:C9H11BrO2
MW:231.086442232132
MDL:MFCD11046750
CID:1412075
PubChem ID:354333582
Update Time:2025-04-20

1-Bromo-2,4-dimethoxy-3-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • Benzene, 1-bromo-2,4-dimethoxy-3-methyl-
    • 3-Bromo-2,6-dimethoxytoluene
    • 1-bromo-2,4-dimethoxy-3-methyl-benzene
    • 2,6-dimethoxy-3-bromotoluene
    • 3-Brom-2,6-dimethoxy-toluol
    • 4-Brom-2-methylresorcinol-dimethylether
    • Benzene,1-bromo-2,4-dimethoxy-3-methyl
    • 1-Bromo-2,4-dimethoxy-3-methylbenzene
    • WXHZGDILTIFQDK-UHFFFAOYSA-N
    • FCH1401968
    • 1,3-Dimethoxy-2-methyl-4-bromobenzene
    • B4745
    • MFCD11046750
    • XAA79495
    • DB-126847
    • SCHEMBL147312
    • EN300-7414993
    • BS-25383
    • CS-0450120
    • 22794-95-2
    • DTXSID20447296
    • A12298
    • MDL: MFCD11046750
    • Inchi: 1S/C9H11BrO2/c1-6-8(11-2)5-4-7(10)9(6)12-3/h4-5H,1-3H3
    • InChI Key: WXHZGDILTIFQDK-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(C)=C1OC)OC

Computed Properties

  • Exact Mass: 229.99400
  • Monoisotopic Mass: 229.99424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 141
  • 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: 2.9
  • Topological Polar Surface Area: 18.5

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 96°C/2.5mmHg(lit.)
  • Flash Point: 110.2±21.4 °C
  • PSA: 18.46000
  • LogP: 2.77470
  • Vapor Pressure: 0.0±0.5 mmHg at 25°C

1-Bromo-2,4-dimethoxy-3-methylbenzene Security Information

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