Cas no 68298-59-9 (4-[2,2-dichloro-1-(4-hydroxyphenyl)vinyl]phenol)

4-[2,2-dichloro-1-(4-hydroxyphenyl)vinyl]phenol structure
68298-59-9 structure
Product Name:4-[2,2-dichloro-1-(4-hydroxyphenyl)vinyl]phenol
CAS No:68298-59-9
MF:C30H28Cl2O7
MW:571.445127487183
CID:1726647
Update Time:2024-11-26

4-[2,2-dichloro-1-(4-hydroxyphenyl)vinyl]phenol Chemical and Physical Properties

Names and Identifiers

    • 4-[2,2-dichloro-1-(4-hydroxyphenyl)vinyl]phenol
    • 4-[1-(4-hydroxyphenyl)-1-methyl-ethyl]phenol
    • carbonic acid,4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
    • 1,1-Dichloro-2,2-bis(4-hydroxyphenyl)ethylene-bisphenol A-polycarbonate
    • Inchi： 1S/C15H16O2.C14H10Cl2O2.CH2O3/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10;2-1(3)4/h3-10,16-17H,1-2H3;1-8,17-18H;(H2,2,3,4)
    • InChI Key： RDNAJSKASISCTE-UHFFFAOYSA-N
    • SMILES： Cl/C(=C(\C1C([H])=C([H])C(=C([H])C=1[H])O[H])/C1C([H])=C([H])C(=C([H])C=1[H])O[H])/Cl.O([H])C1C([H])=C([H])C(=C([H])C=1[H])C(C([H])([H])[H])(C([H])([H])[H])C1C([H])=C([H])C(=C([H])C=1[H])O[H].O([H])C(=O)O[H]

Computed Properties

  • Exact Mass: 280.0059
  • Monoisotopic Mass: 570.121209
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 4
  • Complexity: 509
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 138

Experimental Properties

  • Boiling Point: 405°C at 760 mmHg
  • Flash Point: 198.7°C
  • PSA: 40.46

4-[2,2-dichloro-1-(4-hydroxyphenyl)vinyl]phenol Related Literature

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