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356056-13-8 molecular structure
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(3,3,4,4,5,5,6,6,6-nonafluorohexyl)bis(propan-2-yl)silane

ChemBase ID: 142174
Molecular Formular: C12H19F9Si
Molecular Mass: 362.3503888
Monoisotopic Mass: 362.11123112
SMILES and InChIs

SMILES:
CC(C)[SiH](CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C)C
Canonical SMILES:
CC([SiH](C(C)C)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C
InChI:
InChI=1S/C12H19F9Si/c1-7(2)22(8(3)4)6-5-9(13,14)10(15,16)11(17,18)12(19,20)21/h7-8,22H,5-6H2,1-4H3
InChIKey:
HLHROOLJMZEEDN-UHFFFAOYSA-N

Cite this record

CBID:142174 http://www.chembase.cn/molecule-142174.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,3,4,4,5,5,6,6,6-nonafluorohexyl)bis(propan-2-yl)silane
IUPAC Traditional name
diisopropyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
Synonyms
Diisopropyl(1H,1H,2H,2H-perfluorohexyl)silane
Diisopropyl(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
二异丙基(1H,1H,2H,2H-全氟己基)硅烷
二异丙基(3,3,4,4,5,5,6,6,6-九氟己基)硅烷
CAS Number
356056-13-8
MDL Number
MFCD03788316
PubChem SID
162236404
24851395
PubChem CID
45051667

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
18976 external link Add to cart Please log in.
Data Source Data ID
PubChem 45051667 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.1423  LogD (pH = 7.4) 5.1423 
Log P 5.1423  Molar Refractivity 59.934 cm3
Polarizability 24.487816 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)
Refractive Index
n20/D 1.369 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
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
26-36/37 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
≥95% expand Show data source
Empirical Formula (Hill Notation)
C12H19F9Si expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 18976 external link
Packaging
1 g in poly bottle
Legal Information
Product of Fluorous Technologies, Inc. Use of this compound may be protected by U.S. patents 6,156,896; 5,859,247; 5,777,121 and 6,673,539.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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