Back to Search
Molecule
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
Identifiers
CAS Registry Number
2996-92-1
SMILES
CO[Si](OC)(OC)c1ccccc1
InChI Key
ZNOCGWVLWPVKAO-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
Names and Synonyms
- Trimethoxyphenylsilane Synonym
- Benzene, (trimethoxysilyl)- Synonym
- Silane, trimethoxyphenyl- Synonym
- (Trimethoxysilyl)benzene Synonym
- Phenyltrimethoxysilane Synonym
- Trimethoxyphenylsilane Synonym
- A 153 Synonym
- Z 6071 Synonym
- KBM 103 Synonym
- P 0330 Synonym
- PTS 31 Synonym
- A 153 (silane derivative) Synonym
- AY 43-040 Synonym
- TSL 8173 Synonym
- LS 2750 Synonym
- PTMS Synonym
- PhTMO Synonym
- Huls/ Petrarch 04330 Synonym
- Z 6124 Synonym
- X 40-175 Synonym
- LS 2570 Synonym
- PO 330 Synonym
- PhTMS Synonym
- NSC 93925 Synonym
- AZ 6207 Synonym
- Dynasylan 9165 Synonym
- DC 6124 Synonym
- SiSiB PC 8131 Synonym
- Z 6125 Synonym
- Geniosil XL 70 Synonym
- KH 610 Synonym
- KH 610 (coupling agent) Synonym
- KH 631 Synonym
- OFS 6124 Synonym
- Xiameter OFS 6124 Synonym
- R 00602 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.29 g/mol | CAS Common Chemistry |
| 198.294 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 |
| 0.7717 | RDKit | |
| Molar Refractivity | 52.857000000000035 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 198.071220838 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 198.29 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
