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(3-Chloropropyl)Diethoxymethylsilane
CAS: 13501-76-3 | C8H19ClO2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13501-76-3
Molecular Formula:
C8H19ClO2Si
Molecular Mass:
210.78 g/mol
Names and Synonyms:
(3-Chloropropyl)Diethoxymethylsilane
Silane, (3-chloropropyl)diethoxymethyl-
(3-Chloropropyl)diethoxymethylsilane
3-Chloropropylmethyldiethoxysilane
(γ-Chloropropyl)diethoxymethylsilane
DB 220
YDH 701
FX-M 01868
Identifiers:
SMILES:
CCO[Si](C)(CCCCl)OCC
InChI:
InChI=1S/C8H19ClO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-8H2,1-3H3
Key Properties
Boiling Point
81-83 °C @ Press: 8 Torr
CAS Common Chemistry
Density
0.97 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 | 210.78 g/mol | CAS Common Chemistry |
| 210.77699999999996 g/mol | RDKit | |
| 210.08428405799998 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9744 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 81-83 °C @ Press: 8 Torr | CAS Common Chemistry |
| Canonical SMILES | ClCCC[Si](OCC)(OCC)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H19ClO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-8H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KEZMLECYELSZDC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Chloropropyl)diethoxymethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.760300000000001 | RDKit |
| Molar Refractivity | 55.01400000000004 | RDKit |
