Cas no 123334-02-1 (Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-, hydrate (1:?))

Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-, hydrate (1:?) structure
123334-02-1 structure
Product Name:Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-, hydrate (1:?)
CAS No:123334-02-1
MF:C6H4F8O5
MW:308.080190658569
CID:104194
PubChem ID:57347188
Update Time:2025-04-18

Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-, hydrate (1:?) Chemical and Physical Properties

Names and Identifiers

    • Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-, hydrate (1:?)
    • 2,2,3,3,4,4,5,5-octafluorohexanedioic acid,hydrate
    • Hexanedioicacid,octafluoro-,hydrate (9CI)
    • Perfluoroadipic acid hydrate
    • Octafluorohexanedioic acid--water (1/1)
    • 2,2,3,3,4,4,5,5-octafluorohexanedioic acid hydrate
    • 123334-02-1
    • 2,2,3,3,4,4,5,5-octafluorohexanedioic acid;hydrate
    • 2,2,3,3,4,4,5,5-Octafluorohexanedioic acid xhydrate
    • FT-0643006
    • PYKYYOSVJRAVGQ-UHFFFAOYSA-N
    • DTXSID70721391
    • Inchi： 1S/C6H2F8O4.H2O/c7-3(8,1(15)16)5(11,12)6(13,14)4(9,10)2(17)18;/h(H,15,16)(H,17,18);1H2
    • InChI Key： PYKYYOSVJRAVGQ-UHFFFAOYSA-N
    • SMILES： FC(C(C(=O)O)(F)F)(C(C(C(=O)O)(F)F)(F)F)F.O

Computed Properties

  • Exact Mass: 307.99300
  • Monoisotopic Mass: 307.99309852g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 340
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 75.6?2

Experimental Properties

  • Color/Form: White powder
  • Melting Point: 82-85?°C(lit.)
  • PSA: 83.83000
  • LogP: 1.63250
  • Solubility: Not available

Hexanedioic acid,2,2,3,3,4,4,5,5-octafluoro-, hydrate (1:?) Security Information

  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38
  • Safety Term：S26-37/39

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