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Molecule
3-(Trimethoxysilyl)Propyl Chloride
CAS: 2530-87-2 · C6H15ClO3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2530-87-2
- Molecular Formula
- C6H15ClO3Si
- Molecular Mass
- 198.72 g/mol
Identifiers
CAS Registry Number
2530-87-2
SMILES
CO[Si](CCCCl)(OC)OC
InChI Key
OXYZDRAJMHGSMW-UHFFFAOYSA-N
InChI
InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
Names and Synonyms
- 3-(Trimethoxysilyl)Propyl Chloride Systematic Name
- Silane, (3-chloropropyl)trimethoxy- Synonym
- (3-Chloropropyl)trimethoxysilane Synonym
- δ-Chloropropyltrimethoxysilane Synonym
- (γ-Chloropropyl)trimethoxysilane Synonym
- Z 6076 Synonym
- A 143 Synonym
- Trimethoxy(3-chloropropyl)silane Synonym
- 3-(Trimethoxysilyl)propyl chloride Synonym
- SH 6076 Synonym
- CPS-M Synonym
- Sila-Ace S 620 Synonym
- KBM 703 Synonym
- LS 1260 Synonym
- TSL 8320 Synonym
- Silquest A 1430 Synonym
- C 3300 Synonym
- NSC 83878 Synonym
- TSL 8326 Synonym
- Unisilan 311 Synonym
- Silquest A 143 Synonym
- Dynasylan CPTMO Synonym
- KH 300 Synonym
- KH 231 Synonym
- DB 231 Synonym
- SIC 2410 Synonym
- Silane A 1430 Synonym
- Xiameter OFS 6076 Synonym
- 3-Chloropropyltrimethoxysilan Synonym
- SIC 2410.0 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 198.72 g/mol | CAS Common Chemistry |
| 198.72199999999998 g/mol | RDKit | |
| 198.722 g/mol | RDKit | |
| 198.719 g/mol | chempirical lib | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.077 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | ClCCC[Si](OC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OXYZDRAJMHGSMW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(Trimethoxysilyl)propyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.4933999999999998 | RDKit |
| 1.4934 | RDKit | |
| Molar Refractivity | 46.92500000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 198.04789854999999 g/mol | RDKit |
| Boiling Point | 100 °C @ 40 Torr | CAS Common Chemistry |
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
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MW = 198.72 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H15ClO3Si.
