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Phenyltriethoxysilane
CAS: 780-69-8 | C12H20O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
780-69-8
Molecular Formula:
C12H20O3Si
Molecular Mass:
240.38 g/mol
Names and Synonyms:
Phenyltriethoxysilane
Benzene, (triethoxysilyl)-
Silane, triethoxyphenyl-
(Triethoxysilyl)benzene
Benzeneorthosiliconic acid, triethyl ester
Triethoxyphenylsilane
TSL 8178
Phenyltriethoxysilane
P 0320
KBM 202LS4480
PTS 32
Tri(ethoxo)(phenyl)silane
KBE 103
LS 4480
NSC 77115
Dynasil 9265
LS 4800
Dynasylan 9265
KH 162
KH 651
SIP 6821.0
Identifiers:
SMILES:
CCO[Si](OCC)(OCC)c1ccccc1
InChI:
InChI=1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
Key Properties
Boiling Point
112-113 °C
CAS Common Chemistry
Density
1.00 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.38 g/mol | CAS Common Chemistry |
| 240.375 g/mol | RDKit | |
| 240.11817102999998 g/mol | RDKit | |
| Density | 1.00 g/cm³ | CAS Common Chemistry |
| 0.996 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 112-113 °C | CAS Common Chemistry |
| Canonical SMILES | O(CC)[Si](OCC)(OCC)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JCVQKRGIASEUKR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Phenyltriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.942 | RDKit |
| Molar Refractivity | 66.70800000000004 | RDKit |
