Cas no 72967-11-4 ([(z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide)

[(z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide structure
72967-11-4 structure
Product Name:[(z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide
CAS No:72967-11-4
MF:C23H22BrO2P
MW:441.297346591949
CID:977685
PubChem ID:6450201
Update Time:2025-04-19

[(z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide Chemical and Physical Properties

Names and Identifiers

    • [(Z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium,bromide
    • (3-Methoxycarbonyl-2-propenyl)triphenylphosphonium bromide
    • (3-Methoxycarbonyl-prop-2-enyl)-triphenyl-phosphonium-bromid
    • (4-methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide
    • [(z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium
    • < 3-(Methoxycarbonyl)allyl> triphenylphosphoniumbromid
    • < 3-carbomethoxy-propen-(2)-yl-(1)> -triphenylphosphoniumbromide
    • bromide
    • METHYL-4-(TRIPHENYLPHOSPONIO)CROTONATE BROMIDE
    • SCHEMBL2449047
    • CAA18198
    • A928597
    • MFCD00031575
    • ?METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE
    • 72967-11-4
    • [(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphonium bromide
    • 2181-98-8
    • (E)-(4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphoniumbromide
    • [(E)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide
    • (E)-(4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphonium bromide
    • EINECS 218-557-5
    • AKOS017345142
    • [(2E)-4-methoxy-4-oxobut-2-en-1-yl]triphenylphosphanium bromide
    • [(E)-4-methoxy-4-oxidanylidene-but-2-enyl]-triphenyl-phosphanium bromide
    • METHYL 4-(TRIPHENYLPHOSPHONIO)CROTONATE BROMIDE
    • A815682
    • (4-Methoxy-4-oxobut-2-en-1-yl)triphenylphosphonium bromide
    • (E)-(4-methoxy-4-oxobut-2-enyl)triphenylphosphonium bromide
    • SCHEMBL2449046
    • KSTXYAKHACCZSD-NWBUNABESA-M
    • [(z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide
    • Inchi： 1S/C23H22O2P.BrH/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-18H,19H2,1H3;1H/q+1;/p-1/b18-11+;
    • InChI Key： KSTXYAKHACCZSD-NWBUNABESA-M
    • SMILES： [Br-].[P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C/C=C/C(=O)OC

Computed Properties

  • Exact Mass: 361.13586
  • Monoisotopic Mass: 440.054
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 7
  • Complexity: 409
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3A^2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 26.3
  • LogP: 0.71370

[(z)-4-methoxy-4-oxobut-2-enyl]-triphenylphosphanium;bromide Related Literature

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