Cas no 113642-05-0 (Methyl 3-bromo-4-ethylbenzoate)

Methyl 3-bromo-4-ethylbenzoate is a brominated aromatic ester with a molecular formula of C??H??BrO?. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of both bromo and ethyl substituents on the benzene ring enhances its reactivity, enabling selective functionalization at the 3-position. Its ester group further facilitates derivatization or hydrolysis to yield carboxylic acid derivatives. The compound is characterized by high purity and stability under standard storage conditions, making it suitable for precision applications in research and industrial processes. Its well-defined structure ensures consistent performance in cross-coupling and other transition-metal-catalyzed reactions.
Methyl 3-bromo-4-ethylbenzoate structure
113642-05-0 structure
Product Name:Methyl 3-bromo-4-ethylbenzoate
CAS No:113642-05-0
MF:C10H11BrO2
MW:243.097142457962
MDL:MFCD11112992
CID:836301
PubChem ID:13877473
Update Time:2025-05-27

Methyl 3-bromo-4-ethylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 3-bromo-4-ethylbenzoate
    • 3-bromo-4-ethylBenzoic acid methyl ester
    • Benzoic acid, 3-bromo-4-ethyl-, methyl ester
    • AGN-PC-00OAS7
    • CTK8C6811
    • methyl 3-bromanyl-4-ethyl-benzoate
    • methyl 3-bromo-4-ethyl-benzoate
    • methyl m-bromo-p-ethylbenzoate
    • SBB067753
    • SureCN3577577
    • METHYL 3-BROMO-4-ETHYLBENZOATE(WXC07621)
    • 3-BroMo-4-ethyl-benzoic acid Methyl ester
    • DTXSID30551712
    • CS-0325210
    • AKOS015842893
    • WSYKXUBTLUYUSD-UHFFFAOYSA-N
    • I11917
    • DB-060530
    • 113642-05-0
    • methyl3-bromo-4-ethylbenzoate
    • SCHEMBL3577577
    • MDL： MFCD11112992
    • Inchi： 1S/C10H11BrO2/c1-3-7-4-5-8(6-9(7)11)10(12)13-2/h4-6H,3H2,1-2H3
    • InChI Key： WSYKXUBTLUYUSD-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)OC)C=CC=1CC

Computed Properties

  • Exact Mass: 241.99423
  • Monoisotopic Mass: 241.99424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 182
  • 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: 3.3
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

Methyl 3-bromo-4-ethylbenzoate Pricemore >>

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 113642-05-0 95%
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A2B Chem LLC
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