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Molecule
(3-Chloropropyl)Triethoxysilane
CAS: 5089-70-3 · C9H21ClO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5089-70-3
- Molecular Formula
- C9H21ClO3Si
- Molecular Mass
- 240.80 g/mol
Identifiers
CAS Registry Number
5089-70-3
SMILES
CCO[Si](CCCCl)(OCC)OCC
InChI Key
KSCAZPYHLGGNPZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H21ClO3Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h4-9H2,1-3H3
Names and Synonyms
- (3-Chloropropyl)Triethoxysilane Synonym
- Silane, (3-chloropropyl)triethoxy- Synonym
- (3-Chloropropyl)triethoxysilane Synonym
- Triethoxy(γ-chloropropyl)silane Synonym
- (γ-Chloropropyl)triethoxysilane Synonym
- Si 230 Synonym
- 3-(Triethoxysilyl)propyl chloride Synonym
- Si 223 Synonym
- 3-(Triethoxysilyl)-1-chloropropane Synonym
- NSC 252156 Synonym
- KH 230 Synonym
- Dynasylan CPTEO Synonym
- DB 230 Synonym
- 3-Chloropropropyltriethoxysilane Synonym
- Z 6376 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.80 g/mol | CAS Common Chemistry |
| 240.80299999999994 g/mol | RDKit | |
| 240.803 g/mol | RDKit | |
| 240.8 g/mol | chempirical lib | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.009 g/cm3 | 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 |
| 2.6637 | RDKit | |
| Molar Refractivity | 60.776000000000046 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 240.09484874199998 g/mol | RDKit |
| Boiling Point | 100-102 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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
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MW = 240.80 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
