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3-(Trimethoxysilyl)Propyl Chloride
CAS: 2530-87-2 | C6H15ClO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2530-87-2
Molecular Formula:
C6H15ClO3Si
Molecular Mass:
198.72 g/mol
Names and Synonyms:
3-(Trimethoxysilyl)Propyl Chloride
Silane, (3-chloropropyl)trimethoxy-
(3-Chloropropyl)trimethoxysilane
δ-Chloropropyltrimethoxysilane
(γ-Chloropropyl)trimethoxysilane
Z 6076
A 143
Trimethoxy(3-chloropropyl)silane
3-(Trimethoxysilyl)propyl chloride
SH 6076
CPS-M
Sila-Ace S 620
KBM 703
LS 1260
TSL 8320
Silquest A 1430
C 3300
NSC 83878
TSL 8326
Unisilan 311
Silquest A 143
Dynasylan CPTMO
KH 300
KH 231
DB 231
SIC 2410
Silane A 1430
Xiameter OFS 6076
3-Chloropropyltrimethoxysilan
SIC 2410.0
Identifiers:
SMILES:
CO[Si](CCCCl)(OC)OC
InChI:
InChI=1S/C6H15ClO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-6H2,1-3H3
Key Properties
Boiling Point
100 °C @ Press: 40 Torr
CAS Common Chemistry
Density
1.08 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 | 198.72 g/mol | CAS Common Chemistry |
| 198.72199999999998 g/mol | RDKit | |
| 198.04789854999999 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.077 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 100 °C @ Press: 40 Torr | 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 |
| Molar Refractivity | 46.92500000000003 | RDKit |
