57227-28-8 Purity
96%
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Specification
The molecular formula is C6F13CH2CH2OP(=O)(OH)2C8H6F13O4P.
Some synonyms include perfluorooctyl phosphate, 57678-01-0, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate, and 6:2 Fluorotelomer phosphate monoester.
The molecular weight is 444.08 g/mol.
It was created on February 9, 2007.
Yes, it has a role as an environmental contaminant.
The IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate.
The InChI is "InChI=1S/C8H6F13O4P/c9-3(10,1-2-25-26(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H2,22,23,24)".
The InChIKey is "FZTRDYSPWWJCOF-UHFFFAOYSA-N".
The Canonical SMILES is "C(COP(=O)(O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F".
The CAS number is 57678-01-0.