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(Chloromethyl)Triethoxysilane
CAS: 15267-95-5 | C7H17ClO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15267-95-5
Molecular Formula:
C7H17ClO3Si
Molecular Mass:
212.75 g/mol
Names and Synonyms:
(Chloromethyl)Triethoxysilane
Silane, (chloromethyl)triethoxy-
(Chloromethyl)triethoxysilane
Triethoxy(chloromethyl)silane
(Triethoxysilyl)methyl chloride
ND 41
Chemos 5612
SIC 2298.4
NQ 5151
Identifiers:
SMILES:
CCO[Si](CCl)(OCC)OCC
InChI:
InChI=1S/C7H17ClO3Si/c1-4-9-12(7-8,10-5-2)11-6-3/h4-7H2,1-3H3
Key Properties
Boiling Point
90-91 °C @ Press: 25 Torr
CAS Common Chemistry
Density
1.05 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 | 212.75 g/mol | CAS Common Chemistry |
| 212.74899999999997 g/mol | RDKit | |
| 212.06354861399998 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.048 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 90-91 °C @ Press: 25 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C7H17ClO3Si/c1-4-9-12(7-8,10-5-2)11-6-3/h4-7H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZDOBWJOCPDIBRZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Chloromethyl)triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.8128000000000002 | RDKit |
| Molar Refractivity | 51.35200000000004 | RDKit |
