Cas no 66567-84-8 (1,3,2-Dioxaphosphepane,2-(trichloromethyl)-, 2-oxide)

1,3,2-Dioxaphosphepane,2-(trichloromethyl)-, 2-oxide structure
66567-84-8 structure
Product Name:1,3,2-Dioxaphosphepane,2-(trichloromethyl)-, 2-oxide
CAS No:66567-84-8
MF:C5H8Cl3O3P
MW:253.447979927063
CID:523676
PubChem ID:276339
Update Time:2025-04-19

1,3,2-Dioxaphosphepane,2-(trichloromethyl)-, 2-oxide Chemical and Physical Properties

Names and Identifiers

    • 1,3,2-Dioxaphosphepane,2-(trichloromethyl)-, 2-oxide
    • 2-(trichloromethyl)-1,3,2λ<sup>5</sup>-dioxaphosphepane 2-oxide
    • 2-(trichloromethyl)-1,3,2-dioxaphosphepane 2-oxide
    • AC1L5JM0
    • AC1Q6TBJ
    • AG-K-67901
    • AR-1C9920
    • CTK5C4891
    • NSC124073
    • NSC-124073
    • 66567-84-8
    • DTXSID30298534
    • 2-(Trichloromethyl)-1,3,2lambda~5~-dioxaphosphepan-2-one
    • Inchi: 1S/C5H8Cl3O3P/c6-5(7,8)12(9)10-3-1-2-4-11-12/h1-4H2
    • InChI Key: XIMPACAFARNNBL-UHFFFAOYSA-N
    • SMILES: ClC(P1(=O)OCCCCO1)(Cl)Cl

Computed Properties

  • Exact Mass: 251.92784
  • Monoisotopic Mass: 251.928
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 191
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • Density: 1.51
  • Boiling Point: 253°C at 760 mmHg
  • Flash Point: 113.2°C
  • Refractive Index: 1.486
  • PSA: 35.53
  • LogP: 3.33420
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