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25291-17-2 molecular structure
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3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

ChemBase ID: 7719
Molecular Formular: C8H3F13
Molecular Mass: 346.0886616
Monoisotopic Mass: 346.00271696
SMILES and InChIs

SMILES:
C(C(C(C(C(C(C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Canonical SMILES:
C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI:
InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2
InChIKey:
FYQFWFHDPNXORA-UHFFFAOYSA-N

Cite this record

CBID:7719 http://www.chembase.cn/molecule-7719.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
IUPAC Traditional name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene
Synonyms
(Perfluorohexyl)ethylene
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooct-1-ene
1H,1H,2H-Perfluorooct-1-ene 99%
1H,1H,2H-Perfluoro-1-octene
1H,1H,2H-Perfluoro-1-octene
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octene
1H,1H,2H-Perfluoro-1-octene
1H,1H,2H-全氟-1-辛烯
3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟-1-辛烯
1H,1H,2H-全氟-1-辛烯
CAS Number
25291-17-2
EC Number
246-791-8
MDL Number
MFCD00039249
Beilstein Number
2060994
PubChem SID
160971026
24863075
PubChem CID
91384

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3610845  LogD (pH = 7.4) 5.3610845 
Log P 5.3610845  Molar Refractivity 39.9218 cm3
Polarizability 15.12812 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
102°C expand Show data source
102-104 °C(lit.) expand Show data source
106-107°C expand Show data source
106-107°C expand Show data source
Flash Point
20 °C expand Show data source
20°C expand Show data source
20°C(202°F) expand Show data source
68 °F expand Show data source
Density
1.52 g/mL at 25 °C(lit.) expand Show data source
1.520 expand Show data source
1.580 expand Show data source
Refractive Index
1.2950 expand Show data source
1.2960 expand Show data source
n20/D 1.295(lit.) expand Show data source
Storage Warning
Highly Flammable/Irritant/Keep Cold expand Show data source
IRRITANT, FLAMMABLE expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
1993 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
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
11-36/37/38 expand Show data source
Safety Statements
16-26-36/37/39 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225-H315-H319-H335 expand Show data source
GHS Precautionary statements
P210-P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1993 3/PG 2 expand Show data source
Purity
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
CF3(CF2)5CH=CH2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204944 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 370568 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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