Cas no 29942-35-6 (Tris(p-tert-butylphenyl)phosphine oxide)

Tris(p-tert-butylphenyl)phosphine oxide structure
29942-35-6 structure
Product Name:Tris(p-tert-butylphenyl)phosphine oxide
CAS No:29942-35-6
MF:C30H39OP
MW:446.603829622269
CID:915837
PubChem ID:21863539
Update Time:2025-04-19

Tris(p-tert-butylphenyl)phosphine oxide Chemical and Physical Properties

Names and Identifiers

    • Tris(p-tert-butylphenyl)phosphine oxide
    • 1-bis(4-tert-butylphenyl)phosphoryl-4-tert-butylbenzene
    • OXIDE,TRIS(P-TERT-BUTYLPHENYL) PHOSPHINE
    • AG-E-97864
    • CTK0J0985
    • Phosphine oxide, tris[4-(1,1-dimethylethyl)phenyl]-
    • Tris-(4-tert-butylphenyl)-phosphine oxide
    • 29942-35-6
    • Tris(4-tert-butylphenyl)phosphine oxide
    • SCHEMBL3129845
    • Tris(4-tert-butylphenyl)(oxo)-lambda~5~-phosphane
    • PNWKMUUTDFAROK-UHFFFAOYSA-N
    • DTXSID90618991
    • Tris(p-tert-butylphenyl)phosphineoxide
    • Inchi: 1S/C30H39OP/c1-28(2,3)22-10-16-25(17-11-22)32(31,26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
    • InChI Key: PNWKMUUTDFAROK-UHFFFAOYSA-N
    • SMILES: P(C1C=CC(=CC=1)C(C)(C)C)(C1C=CC(=CC=1)C(C)(C)C)(C1C=CC(=CC=1)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 446.27400
  • Monoisotopic Mass: 446.27385286g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 6
  • Complexity: 543
  • 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: 9.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 26.88000
  • LogP: 7.21850
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