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355-74-8 molecular structure
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2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol

ChemBase ID: 6531
Molecular Formular: C6H6F8O2
Molecular Mass: 262.0978656
Monoisotopic Mass: 262.02400519
SMILES and InChIs

SMILES:
OCC(C(C(C(CO)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
OCC(C(C(C(CO)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C6H6F8O2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16/h15-16H,1-2H2
InChIKey:
NHEKBXPLFJSSBZ-UHFFFAOYSA-N

Cite this record

CBID:6531 http://www.chembase.cn/molecule-6531.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol
IUPAC Traditional name
2,2,3,3,4,4,5,5-octafluorohexane-1,6-diol
Synonyms
2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol
1H,1H,6H,6H-Perfluoro-1,6-hexanediol
1,6-Dihydroxy-2,2,3,3,4,4,5,5-octafluorohexane
2,2,3,3,4,4,5,5-Octafluorohexane-1,6-diol 98%
2,2,3,3,4,4,5,5-Octafluoro-1,6-hexanediol
2,2,3,3,4,4,5,5-八氟-1,6-己烷二醇
CAS Number
355-74-8
EC Number
000-000-0
MDL Number
MFCD00069087
Beilstein Number
1784039
PubChem SID
24865374
160969838
PubChem CID
136181

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.320054  H Acceptors
H Donor LogD (pH = 5.5) 1.5938917 
LogD (pH = 7.4) 1.5938866  Log P 1.5938917 
Molar Refractivity 33.2256 cm3 Polarizability 12.9826 Å3
Polar Surface Area 40.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
66-70 °C(lit.) expand Show data source
67-70°C expand Show data source
67-70°C expand Show data source
68°C expand Show data source
Boiling Point
100 °C/3 mmHg(lit.) expand Show data source
100°C/3mm expand Show data source
100°C/3mm expand Show data source
Flash Point
none°C expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (GC) expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
HOCH2(CF2)4CH2OH expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 406422 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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