Cas no 6213-87-2 (methyl (2E)-3-bromoprop-2-enoate)

Methyl (2E)-3-bromoprop-2-enoate is a brominated unsaturated ester with the molecular formula C?H?BrO?. This compound features a reactive α,β-unsaturated carbonyl structure, making it a versatile intermediate in organic synthesis, particularly in Michael additions, cycloadditions, and cross-coupling reactions. The presence of both an electron-withdrawing ester group and a bromine substituent enhances its utility in nucleophilic substitution and polymerization processes. Its high purity and stability under controlled conditions ensure consistent performance in fine chemical and pharmaceutical applications. The compound is typically handled under inert atmospheres due to its sensitivity to moisture and light. Proper storage and handling protocols are recommended to maintain its reactivity and shelf life.
methyl (2E)-3-bromoprop-2-enoate structure
6213-87-2 structure
Product Name:methyl (2E)-3-bromoprop-2-enoate
CAS No:6213-87-2
MF:C4H5BrO2
MW:164.985300779343
MDL:MFCD00154498
CID:513889
PubChem ID:5367964
Update Time:2025-05-19

methyl (2E)-3-bromoprop-2-enoate Chemical and Physical Properties

Names and Identifiers

    • 2-Propenoic acid,3-bromo-, methyl ester, (2E)-
    • methyl (E)-3-bromoprop-2-enoate
    • 2-Propenoic acid, 3-bromo-, methyl ester, (E)-
    • Methyl (2E)-3-bromo-2-propenoate
    • methyl (2E)-3-bromoprop-2-enoate
    • MDL： MFCD00154498
    • Inchi： 1S/C4H5BrO2/c1-7-4(6)2-3-5/h2-3H,1H3/b3-2+
    • InChI Key： HGOGNLOBEAIJAM-NSCUHMNNSA-N
    • SMILES： Br/C=C/C(=O)OC

Computed Properties

  • Exact Mass: 163.94725
  • Monoisotopic Mass: 163.947292
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 2
  • Complexity: 87.7
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • XLogP3: 1

Experimental Properties

  • Density: 1.573
  • Boiling Point: 155.8°C at 760 mmHg
  • Flash Point: 48°C
  • Refractive Index: 1.486
  • PSA: 26.3

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methyl (2E)-3-bromoprop-2-enoate Suppliers

Amadis Chemical Company Limited
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(CAS:6213-87-2)(E)-Methyl 3-bromoacrylate
Order Number:A947421
Stock Status:in Stock
Quantity:5g/1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:57
Price ($):942.0/339.0

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Amadis Chemical Company Limited
(CAS:6213-87-2)(E)-Methyl 3-bromoacrylate
A947421
Purity:99%/99%
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Price ($):942.0/339.0
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