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(3-Chloropropyl)Triethoxysilane
CAS: 5089-70-3 | C9H21ClO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5089-70-3
Molecular Formula:
C9H21ClO3Si
Molecular Mass:
240.80 g/mol
Names and Synonyms:
(3-Chloropropyl)Triethoxysilane
Silane, (3-chloropropyl)triethoxy-
(3-Chloropropyl)triethoxysilane
Triethoxy(γ-chloropropyl)silane
(γ-Chloropropyl)triethoxysilane
Si 230
3-(Triethoxysilyl)propyl chloride
Si 223
3-(Triethoxysilyl)-1-chloropropane
NSC 252156
KH 230
Dynasylan CPTEO
DB 230
3-Chloropropropyltriethoxysilane
Z 6376
Identifiers:
SMILES:
CCO[Si](CCCCl)(OCC)OCC
InChI:
InChI=1S/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3
Key Properties
Boiling Point
100-102 °C @ Press: 10 Torr
CAS Common Chemistry
Density
1.01 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 | 240.80 g/mol | CAS Common Chemistry |
| 240.80299999999994 g/mol | RDKit | |
| 240.09484874199998 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.009 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 100-102 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCC[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KSCAZPYHLGGNPZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Chloropropyl)triethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 2.6637000000000013 | RDKit |
| Molar Refractivity | 60.776000000000046 | RDKit |
