Cas no 96300-97-9 (diphenoxyphosphoryloxybenzene; 1-diphenoxyphosphoryloxy-2-propan-2-yl-benzene)

diphenoxyphosphoryloxybenzene; 1-diphenoxyphosphoryloxy-2-propan-2-yl-benzene structure
96300-97-9 structure
Product Name:diphenoxyphosphoryloxybenzene; 1-diphenoxyphosphoryloxy-2-propan-2-yl-benzene
CAS No:96300-97-9
MF:C39H36O8P2
MW:694.645873069763
CID:809596
PubChem ID:107806
Update Time:2025-04-19

diphenoxyphosphoryloxybenzene; 1-diphenoxyphosphoryloxy-2-propan-2-yl-benzene Chemical and Physical Properties

Names and Identifiers

    • diphenyl (2-propan-2-ylphenyl) phosphate,triphenyl phosphate
    • KRONITEX200
    • 1-diphenoxyphosphoryloxy-2-propan-2-yl-benzene
    • diphenoxyphosphoryloxybenzene
    • 96300-97-9
    • Phosphoric acid, 2-(1-methylethyl)phenyl diphenyl ester, mixt. with triphenyl phosphate
    • Kronitex 200
    • o-Isopropylphenyl diphenyl phosphate mixt. with triphenyl phosphate
    • Phosflex 31P
    • diphenoxyphosphoryloxybenzene; 1-diphenoxyphosphoryloxy-2-propan-2-yl-benzene
    • Inchi: 1S/C21H21O4P.C18H15O4P/c1-17(2)20-15-9-10-16-21(20)25-26(22,23-18-11-5-3-6-12-18)24-19-13-7-4-8-14-19;19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h3-17H,1-2H3;1-15H
    • InChI Key: FZNYDIOKDNGCDI-UHFFFAOYSA-N
    • SMILES: P(=O)(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1C(C)C.P(=O)(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1

Computed Properties

  • Exact Mass: 694.18854210g/mol
  • Monoisotopic Mass: 694.18854210g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 49
  • Rotatable Bond Count: 13
  • Complexity: 756
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 89.5?2
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