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355-02-2 molecular structure
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1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane

ChemBase ID: 6446
Molecular Formular: C7F14
Molecular Mass: 350.0525448
Monoisotopic Mass: 349.97764508
SMILES and InChIs

SMILES:
C1(C(C(C(C(C1(F)F)(F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Canonical SMILES:
FC1(C(F)(F)F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
InChI:
InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
InChIKey:
QIROQPWSJUXOJC-UHFFFAOYSA-N

Cite this record

CBID:6446 http://www.chembase.cn/molecule-6446.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane
IUPAC Traditional name
perfluoromethylcyclohexane
Synonyms
Perfluoro(methylcyclohexane) 95%
Perfluoro(methylcyclohexane)
(Trifluoromethyl)undecafluorocyclohexane
(Trifluoromethyl)undecafluorocyclohexane
Perfluoromethylcyclohexane
Perfluoro(methylcyclohexane)
十一氟(三氟甲基)环己烷
全氟(甲基环己烷)
全氟甲基环己烷
十一氟(三氟甲基)环己烷
全氟甲基环己烷
CAS Number
355-02-2
EC Number
206-573-5
MDL Number
MFCD00001468
Beilstein Number
1915981
PubChem SID
160969753
24858283
24887169
PubChem CID
9637

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.642835  LogD (pH = 7.4) 4.642835 
Log P 4.642835  Molar Refractivity 32.9501 cm3
Polarizability 13.429513 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)
Melting Point
-70°C expand Show data source
Boiling Point
75-76°C expand Show data source
76 °C(lit.) expand Show data source
76°C expand Show data source
Flash Point
none°C expand Show data source
Density
1.787 expand Show data source
1.787 g/mL at 25 °C(lit.) expand Show data source
1.80 g/mL at 20 °C expand Show data source
1.800 expand Show data source
Refractive Index
1.3 expand Show data source
1.3 00 expand Show data source
1.3000 expand Show data source
n17/D 1.285(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
RTECS
GV7610000 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
TSCA Listed
true expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Purity
≥95.0% (GC) expand Show data source
90% expand Show data source
94% expand Show data source
Grade
purum expand Show data source
technical grade expand Show data source
Linear Formula
C6F11CF3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 302937 external link
Packaging
25, 100 g in ampule

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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