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Trichlorododecylsilane
CAS: 4484-72-4 | C12H25Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4484-72-4
Molecular Formula:
C12H25Cl3Si
Molecular Mass:
303.78 g/mol
Names and Synonyms:
Trichlorododecylsilane
Silane, trichlorododecyl-
Trichlorododecylsilane
Dodecyltrichlorosilane
NSC 139836
Identifiers:
SMILES:
CCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C12H25Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3
Key Properties
Boiling Point
288 °C
CAS Common Chemistry
Melting Point
-30 °C
CAS Common Chemistry
Density
1.03 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 | 303.78 g/mol | CAS Common Chemistry |
| 303.77699999999993 g/mol | RDKit | |
| 302.07911037 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.026 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 288 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C12H25Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BNCXNUWGWUZTCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -30 °C | CAS Common Chemistry |
| Name | Trichlorododecylsilane | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 11 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.562600000000005 | RDKit |
| Molar Refractivity | 79.96400000000006 | RDKit |
