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Trimethylsilyl Cyanide
CAS: 7677-24-9 | C4H9NSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7677-24-9
Molecular Formula:
C4H9NSi
Molecular Mass:
99.21 g/mol
Names and Synonyms:
Trimethylsilyl Cyanide
Silanecarbonitrile, trimethyl-
Silane, cyanotrimethyl-
Trimethylsilanecarbonitrile
Trimethylsilyl cyanide
Cyanotrimethylsilane
Trimethylcyanosilane
Trimethylsilylcarbonitrile
Trimethylsilyl nitrile
Trimethylsilylformonitrile
Identifiers:
SMILES:
C[Si](C)(C)C#N
InChI:
InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3
Key Properties
Boiling Point
118-119 °C
CAS Common Chemistry
Melting Point
11-12 °C
CAS Common Chemistry
Density
0.74 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 | 99.21 g/mol | CAS Common Chemistry |
| 99.20899999999999 g/mol | RDKit | |
| 99.050425818 g/mol | RDKit | |
| Density | 0.74 g/cm³ | CAS Common Chemistry |
| 0.744 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilyl_cyanide | CAS Common Chemistry |
| Boiling Point | 118-119 °C | CAS Common Chemistry |
| Canonical SMILES | N#C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LEIMLDGFXIOXMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 11-12 °C | CAS Common Chemistry |
| Name | Trimethylsilyl cyanide | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 23.79 Ų | RDKit |
| LogP | 1.3873799999999998 | RDKit |
| Molar Refractivity | 28.958999999999985 | RDKit |
