Cas no 322647-82-5 (Phosphine,tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-)

Phosphine, tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-, is a highly fluorinated phosphine derivative characterized by its exceptional electron-withdrawing properties and thermal stability. The presence of multiple trifluoromethyl and heptafluoropentyl groups enhances its resistance to oxidation and degradation, making it suitable for demanding applications in catalysis and materials science. Its sterically hindered structure contributes to selective reactivity in transition metal coordination, particularly in environments requiring robust ligands. The compound's low basicity and high lipophilicity further expand its utility in fluorous-phase chemistry and specialized synthetic processes. Careful handling is advised due to potential reactivity with moisture or strong reducing agents.
Phosphine,tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]- structure
322647-82-5 structure
Product Name:Phosphine,tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-
CAS No:322647-82-5
MF:C39H18F39P
MW:1258.47172880173
CID:301414
PubChem ID:10653969
Update Time:2025-10-19

Phosphine,tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]- Chemical and Physical Properties

Names and Identifiers

    • Phosphine,tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]-
    • 4H-1,4-Thiazine-4-aceticacid,2-ethyl-2,3-dihydro-3-oxo-(9CI)
    • 322647-82-5
    • TRIS[4-(3 3 4 4 5 5 5-HEPTAFLUORO-2 2-BI
    • NS00111100
    • Tris(4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl)phosphine
    • DTXSID60896148
    • SCHEMBL6763406
    • Tris{4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl}phosphane
    • Tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]phosphane
    • Tris[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl]phosphine
    • ZHQHSVFPOKMCMF-UHFFFAOYSA-N
    • Tris[4-(3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl)phenyl] phosphine
    • J-018690
    • Inchi： 1S/C39H18F39P/c40-25(41,28(46,47)37(70,71)72)22(31(52,53)54,32(55,56)57)13-16-1-7-19(8-2-16)79(20-9-3-17(4-10-20)14-23(33(58,59)60,34(61,62)63)26(42,43)29(48,49)38(73,74)75)21-11-5-18(6-12-21)15-24(35(64,65)66,36(67,68)69)27(44,45)30(50,51)39(76,77)78/h1-12H,13-15H2
    • InChI Key： ZHQHSVFPOKMCMF-UHFFFAOYSA-N
    • SMILES： P(C1C=CC(=CC=1)CC(C(F)(F)F)(C(F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)(C1C=CC(=CC=1)CC(C(F)(F)F)(C(F)(F)F)C(C(C(F)(F)F)(F)F)(F)F)C1C=CC(=CC=1)CC(C(F)(F)F)(C(F)(F)F)C(C(C(F)(F)F)(F)F)(F)F

Computed Properties

  • Exact Mass: 1258.05000
  • Monoisotopic Mass: 1258.0523359g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 39
  • Heavy Atom Count: 79
  • Rotatable Bond Count: 15
  • Complexity: 1740
  • 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
  • Surface Charge: 0
  • XLogP3: 19.8
  • Topological Polar Surface Area: 0

Experimental Properties

  • Color/Form: colorless liquid
  • Boiling Point: 519.302°C at 760 mmHg
  • Flash Point: 267.864°C
  • PSA: 13.59000
  • LogP: 16.90400
  • Solubility: Not determined

Phosphine,tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]- Security Information

  • WGK Germany：3
  • FLUKA BRAND F CODES：10

Phosphine,tris[4-[3,3,4,4,5,5,5-heptafluoro-2,2-bis(trifluoromethyl)pentyl]phenyl]- Pricemore >>

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