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1584-03-8 molecular structure
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1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene

ChemBase ID: 10333
Molecular Formular: C6F12
Molecular Mass: 300.0450384
Monoisotopic Mass: 299.98083864
SMILES and InChIs

SMILES:
C(=C(C(F)(F)F)C(F)(F)F)(C(C(F)(F)F)(F)F)F
Canonical SMILES:
FC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F
InChI:
InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15
InChIKey:
FAEGGADNHFKDQX-UHFFFAOYSA-N

Cite this record

CBID:10333 http://www.chembase.cn/molecule-10333.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene
IUPAC Traditional name
1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene
Synonyms
Nonafluoro-2-(trifluoromethyl)pent-2-ene
Perfluoro(2-methylpent-2-ene) 99%
Dodecafluoro(2-methyl-2-pentene)
Perfluoro(2-methyl-2-pentene)
Perfluoro(2-methylpent-2-ene)
Dodecafluoro-2-methyl-2-pentene
Perfluoro-2-methyl-2-pentene
1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene
全氟(2-甲基-2-戊烯)
十二氟-2-甲基-2-戊烯
全氟-2-甲基-2-戊烯
CAS Number
1584-03-8
EC Number
216-436-1
MDL Number
MFCD00015724
PubChem SID
24862468
160973640
PubChem CID
74105

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6927845  LogD (pH = 7.4) 3.6927845 
Log P 3.6927845  Molar Refractivity 33.1981 cm3
Polarizability 11.832373 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
48-54°C expand Show data source
48-54°C expand Show data source
53-61 °C(lit.) expand Show data source
Flash Point
10.4 °F expand Show data source
-12 °C expand Show data source
-12°C expand Show data source
-12°C(10°F) expand Show data source
Density
1.62 expand Show data source
1.620 expand Show data source
1.622 expand Show data source
1.622 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
ca. 1.3 expand Show data source
Vapor Pressure
4.31 psi ( 20 °C) expand Show data source
Hydrophobicity(logP)
1.68 expand Show data source
Storage Warning
Highly Flammable expand Show data source
IRRITANT expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1993 expand Show data source
UN1993 expand Show data source
MSDS Link
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
II expand Show data source
Risk Statements
11 expand Show data source
Safety Statements
16-29-33 expand Show data source
33 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 expand Show data source
P210-P241-P280-P303+P361+P353-P403+P235-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
RID/ADR
UN 1993 3/PG 2 expand Show data source
Purity
90% expand Show data source
95% expand Show data source
97% expand Show data source
98% expand Show data source
Linear Formula
C2F5CF=C(CF3)2 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC6122P external link
Contains 5-10% Perfluoro(4-methylpent-2-ene)

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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