Cas no 36637-57-7 (Phosphoric acid,diethyl ester, aluminum salt (3:1))

Phosphoric acid,diethyl ester, aluminum salt (3:1) structure
36637-57-7 structure
Product Name:Phosphoric acid,diethyl ester, aluminum salt (3:1)
CAS No:36637-57-7
MF:C4H11AlO4P
MW:181.08304142952
CID:320859
PubChem ID:54611578
Update Time:2025-04-19

Phosphoric acid,diethyl ester, aluminum salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • Phosphoric acid,diethyl ester, aluminum salt (3:1)
    • Aluminumethyl phosphate (7CI)
    • Phosphoric acid, diethyl ester, aluminum salt (9CI)
    • NSC-305276
    • 36637-57-7
    • SCHEMBL16013913
    • NSC305276
    • SCHEMBL16013912
    • Inchi: 1S/C4H11O4P.Al/c1-3-7-9(5,6)8-4-2;/h3-4H2,1-2H3,(H,5,6);
    • InChI Key: DUSMWJADHZNTKF-UHFFFAOYSA-N
    • SMILES: P(=O)(O)(OCC)OCC.[Al]

Computed Properties

  • Exact Mass: 181.0210342g/mol
  • Monoisotopic Mass: 181.0210342g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 103
  • 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: 55.8?2

Experimental Properties

  • Density: 1.195
  • Boiling Point: 200.3°Cat760mmHg
  • Flash Point: 74.9°C
  • PSA: 65.57000
  • LogP: 1.49730
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