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Trimethoxyphenylsilane
CAS: 2996-92-1 | C9H14O3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2996-92-1
Molecular Formula:
C9H14O3Si
Molecular Mass:
198.29 g/mol
Names and Synonyms:
Trimethoxyphenylsilane
Benzene, (trimethoxysilyl)-
Silane, trimethoxyphenyl-
(Trimethoxysilyl)benzene
Phenyltrimethoxysilane
Trimethoxyphenylsilane
A 153
Z 6071
KBM 103
P 0330
PTS 31
A 153 (silane derivative)
AY 43-040
TSL 8173
LS 2750
PTMS
PhTMO
Huls/ Petrarch 04330
Z 6124
X 40-175
LS 2570
PO 330
PhTMS
NSC 93925
AZ 6207
Dynasylan 9165
DC 6124
SiSiB PC 8131
Z 6125
Geniosil XL 70
KH 610
KH 610 (coupling agent)
KH 631
OFS 6124
Xiameter OFS 6124
R 00602
Identifiers:
SMILES:
CO[Si](OC)(OC)c1ccccc1
InChI:
InChI=1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
Key Properties
Boiling Point
211 °C
CAS Common Chemistry
Melting Point
-25 °C
CAS Common Chemistry
Density
1.06 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 | 198.29 g/mol | CAS Common Chemistry |
| 198.294 g/mol | RDKit | |
| 198.071220838 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.064 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 211 °C | CAS Common Chemistry |
| Canonical SMILES | O(C)[Si](OC)(OC)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNOCGWVLWPVKAO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -25 °C | CAS Common Chemistry |
| Name | Trimethoxyphenylsilane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 0.7716999999999995 | RDKit |
| Molar Refractivity | 52.857000000000035 | RDKit |
