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335-27-3 molecular structure
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1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane

ChemBase ID: 6648
Molecular Formular: C8F16
Molecular Mass: 400.0600512
Monoisotopic Mass: 399.97445152
SMILES and InChIs

SMILES:
C1(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(F)C(C(C1(F)F)(F)F)(F)F
Canonical SMILES:
FC1(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F
InChI:
InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14
InChIKey:
LOQGSOTUHASIHI-UHFFFAOYSA-N

Cite this record

CBID:6648 http://www.chembase.cn/molecule-6648.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane
IUPAC Traditional name
perfluorodimethylcyclohexane
Synonyms
Perfluoro(1,3-dimethylcyclohexane)
Perfluoro-1,3-dimethylcyclohexane
Perfluoro-1,3-dimethylcyclohexane, tech.
4,6-Bis(trifluoromethyl)-1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
Hexadecafluoro(1,3-dimethylcyclohexane)
Perfluoro(1,3-dimethylcyclohexane) 90%
PERFLUORODIMETHYLCYCLOHEXANE (MIX 1,3 AND 1,4 ISOMERS)
Decafluoro-1,3-bis(trifluoromethyl)cyclohexane
Hexadecafluoro-1,3-dimethylcyclohexane (cis+trans)
Hexadecafluoro-1,3-dimethylcyclohexane
Perfluoro-1,3-dimethylcyclohexane
FlutecR PP3
Perfluoro-1,3-dimethylcyclohexane
Hexadecafluoro-1,3-dimethylcyclohexane
全氟(1,3-二甲基环己烷)
十六氟-1,3-二甲基环己烷
十六氟-1,3-二甲基环己烷(顺反异构体混合物)
十氟-1,3-双(三氟甲基)环己烷
全氟-1,3-二甲基环己烷
全氟-1,3-二甲基环己烷
1,1,2,2,3,3,4,5,5,6-十氟代-4,6-双(三氟代甲基)环己烷
CAS Number
335-27-3
EC Number
206-386-9
MDL Number
MFCD00001469
Beilstein Number
2064147
PubChem SID
24857038
24887161
160969955
PubChem CID
78975

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.0818143  LogD (pH = 7.4) 5.0818143 
Log P 5.0818143  Molar Refractivity 37.8922 cm3
Polarizability 15.349893 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)
Melting Point
-55 °C(lit.) expand Show data source
-55°C expand Show data source
-70°C expand Show data source
-70°C expand Show data source
Boiling Point
101-102 °C(lit.) expand Show data source
101-102°C expand Show data source
101-102°C expand Show data source
102°C expand Show data source
Density
1.82 expand Show data source
1.828 expand Show data source
1.828 g/mL at 25 °C(lit.) expand Show data source
1.85 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
1.2895 expand Show data source
1.2908 expand Show data source
1.3 expand Show data source
1.3000 expand Show data source
n20/D 1.3(lit.) expand Show data source
Vapor Density
14 (vs air) expand Show data source
Storage Warning
Irritant expand Show data source
Non-hazardous expand Show data source
RTECS
GV4990000 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
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
26-36 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
~80% (GC) expand Show data source
80% expand Show data source
80+% expand Show data source
98% expand Show data source
tech. 80%, remainder other fluorocarbons expand Show data source
Grade
technical expand Show data source
technical grade expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
C6F10(CF3)2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05205489 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 282316 external link
Packaging
50, 250 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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