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69991-61-3 molecular structure
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difluoromethanediol; hexafluoropropane-1,2-diol

ChemBase ID: 97342
Molecular Formular: C4H4F8O4
Molecular Mass: 268.0593856
Monoisotopic Mass: 267.99818437
SMILES and InChIs

SMILES:
FC(F)(O)C(F)(O)C(F)(F)F.FC(F)(O)O
Canonical SMILES:
OC(C(F)(F)F)(C(F)(F)O)F.OC(F)(F)O
InChI:
InChI=1S/C3H2F6O2.CH2F2O2/c4-1(10,2(5,6)7)3(8,9)11;2-1(3,4)5/h10-11H;4-5H
InChIKey:
SQSFKAYYBLZEBX-UHFFFAOYSA-N

Cite this record

CBID:97342 http://www.chembase.cn/molecule-97342.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
difluoromethanediol; hexafluoropropane-1,2-diol
IUPAC Traditional name
difluoromethanediol; hexafluoropropane-1,2-diol
Synonyms
Fomblin-YR (L-Vac)
Perfluorosolv PFS-2
Fomblin-YR (H-Vac)
Fomblin-MR
Fomblin Z-15R
Perfluoropolyether YR-1800
Fomblin YR-1800
全氟聚醚 YR-1800
CAS Number
69991-61-3
69991-67-9
MDL Number
MFCD00163697
MFCD01323324
MFCD00163696
MFCD00134123
MFCD00163699
PubChem SID
162083952
PubChem CID
16212018

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.296165  H Acceptors
H Donor LogD (pH = 5.5) -0.15666315 
LogD (pH = 7.4) -3.0947335  Log P 1.2249697 
Molar Refractivity 20.3254 cm3 Polarizability 7.8763204 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
-80°C expand Show data source
Boiling Point
>270°C expand Show data source
Flash Point
113°C expand Show data source
Density
1.84 expand Show data source
1.9 expand Show data source
1.920 expand Show data source
Refractive Index
1.293 expand Show data source
1.3040 expand Show data source
Storage Warning
Irritant expand Show data source
TSCA Listed
expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC4382 external link
A linear perfluoro-polyether fw approx. 1800
Apollo Scientific Ltd - PC4386F external link
Viscosity 148cst at 200C

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Fomblin is a registered trademark of Ausimont, Inc.
  • • High-viscosity perfluoropolyether fluid; kinematic viscosity 1850 cSt at 20o C.
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PATENTS

PATENTS

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INTERNET

INTERNET

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