Cas no 146404-58-2 (Cinnamylphosphonic acid (E))

Cinnamylphosphonic acid (E) is an organophosphorus compound characterized by its cinnamyl group and phosphonic acid functionality. This structure imparts unique reactivity, making it valuable in organic synthesis, particularly in the preparation of phosphonate esters and metal-chelating agents. Its conjugated double bond system enhances its utility in cross-coupling reactions and polymer applications. The phosphonic acid group offers strong binding affinity to metal oxides, suggesting potential in surface modification and corrosion inhibition. The (E)-isomer configuration ensures stereochemical consistency, which is critical for applications requiring precise molecular interactions. This compound is typically handled under controlled conditions due to its reactivity and sensitivity to moisture.
Cinnamylphosphonic acid (E) structure
Cinnamylphosphonic acid (E) structure
Product Name:Cinnamylphosphonic acid (E)
CAS No:146404-58-2
MF:C9H11O3P
MW:198.155603647232
MDL:MFCD19105641
CID:2208945
PubChem ID:354333131
Update Time:2025-05-20

Cinnamylphosphonic acid (E) Chemical and Physical Properties

Names and Identifiers

    • Cinnamylphosphonic acid (E)
    • Cinnamylphosphonic Acid
    • 3-Phenyl-2-propenylphosphonic Acid
    • [(E)-Cinnamyl]phosphonic acid
    • WFA40458
    • SCHEMBL5611191
    • MFCD19105641
    • SCHEMBL5611194
    • Phosphonic acid, P-(3-phenyl-2-propen-1-yl)-
    • T70296
    • 146404-58-2
    • AKOS017344991
    • Phosphonicacid,P-(3-phenyl-2-propen-1-yl)-
    • [(E)-3-phenylprop-2-enyl]phosphonic acid
    • CS-0373863
    • 811-022-2
    • MDL: MFCD19105641
    • Inchi: 1S/C9H11O3P/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H2,10,11,12)/b7-4+
    • InChI Key: AIWAKBITCLOITM-QPJJXVBHSA-N
    • SMILES: P(C/C=C/C1C=CC=CC=1)(=O)(O)O

Computed Properties

  • Exact Mass: 198.04500
  • Monoisotopic Mass: 198.04458121g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 213
  • 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
  • XLogP3: 0.8
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Melting Point: 170.0 to 175.0 deg-C
  • PSA: 67.34000
  • LogP: 1.87750

Cinnamylphosphonic acid (E) Security Information

Cinnamylphosphonic acid (E) Pricemore >>

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