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149838-19-7 molecular structure
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triethoxy({3-[(heptafluoropropan-2-yl)oxy]propyl})silane

ChemBase ID: 8608
Molecular Formular: C12H21F7O4Si
Molecular Mass: 390.3670624
Monoisotopic Mass: 390.10973322
SMILES and InChIs

SMILES:
[Si](CCCOC(F)(C(F)(F)F)C(F)(F)F)(OCC)(OCC)OCC
Canonical SMILES:
CCO[Si](OCC)(OCC)CCCOC(C(F)(F)F)(C(F)(F)F)F
InChI:
InChI=1S/C12H21F7O4Si/c1-4-21-24(22-5-2,23-6-3)9-7-8-20-10(13,11(14,15)16)12(17,18)19/h4-9H2,1-3H3
InChIKey:
CUVIJHAPWYUQIV-UHFFFAOYSA-N

Cite this record

CBID:8608 http://www.chembase.cn/molecule-8608.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triethoxy({3-[(heptafluoropropan-2-yl)oxy]propyl})silane
IUPAC Traditional name
triethoxy({3-[(heptafluoropropan-2-yl)oxy]propyl})silane
Synonyms
3-(Heptafluoroisopropoxy)-propyltriethoxysilane
3-(Heptafluoroisopropoxy)propyltriethoxysilane
3-(Heptafluoroisopropoxy)propyltriethoxysilane 97%
3-(七氟异丙氧基)丙基三乙氧基硅烷
CAS Number
149838-19-7
MDL Number
MFCD00054745
PubChem SID
160971915
PubChem CID
2774922

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2774922 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.3413  LogD (pH = 7.4) 4.3413 
Log P 4.3413  Molar Refractivity 67.4013 cm3
Polarizability 27.755478 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds 13  Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Density
1.407 expand Show data source
Refractive Index
1.358 expand Show data source
1.3580 expand Show data source
Storage Warning
Flammable expand Show data source
Moisture Sensitive expand Show data source
STORED UNDER ARGON expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
23-26-37-60 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P302+P352-P321-P362-P332+P313 expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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