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21130-91-6 molecular structure
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triethoxy(4-methoxyphenyl)silane

ChemBase ID: 139611
Molecular Formular: C13H22O4Si
Molecular Mass: 270.39688
Monoisotopic Mass: 270.12873572
SMILES and InChIs

SMILES:
CCO[Si](c1ccc(cc1)OC)(OCC)OCC
Canonical SMILES:
CCO[Si](c1ccc(cc1)OC)(OCC)OCC
InChI:
InChI=1S/C13H22O4Si/c1-5-15-18(16-6-2,17-7-3)13-10-8-12(14-4)9-11-13/h8-11H,5-7H2,1-4H3
InChIKey:
VIJXFDYNPXVYJQ-UHFFFAOYSA-N

Cite this record

CBID:139611 http://www.chembase.cn/molecule-139611.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
triethoxy(4-methoxyphenyl)silane
IUPAC Traditional name
triethoxy(4-methoxyphenyl)silane
Synonyms
Triethoxy(4-methoxyphenyl)silane
三乙氧基(4-甲氧苯基)硅烷
CAS Number
21130-91-6
MDL Number
MFCD05665142
PubChem SID
24881664
162233859
PubChem CID
11184810

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
597015 external link Add to cart Please log in.
Data Source Data ID
PubChem 11184810 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9971  LogD (pH = 7.4) 2.9971 
Log P 2.9971  Molar Refractivity 67.324 cm3
Polarizability 28.90403 Å3 Polar Surface Area 36.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
128 °C/3 mmHg(lit.) expand Show data source
Flash Point
>110 °C expand Show data source
>230 °F expand Show data source
Density
1.030 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
n20/D 1.474(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Purity
97% expand Show data source
Linear Formula
(C2H5O)3SiC6H4OCH3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 597015 external link
Application
A silicon-based nucleophile shown to be reactive in Pd-catalyzed cross-coupling reactions.1
Packaging
5, 20 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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