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(Chlorosilyl)Methane
CAS: 993-00-0 | CH5ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
993-00-0
Molecular Formula:
CH5ClSi
Molecular Mass:
80.59 g/mol
Names and Synonyms:
(Chlorosilyl)Methane
Silane, chloromethyl-
Methylchlorosilane
Chloromethylsilane
(Chlorosilyl)methane
Identifiers:
SMILES:
C[SiH2]Cl
InChI:
InChI=1S/CH5ClSi/c1-3-2/h3H2,1H3
Key Properties
Boiling Point
7 °C
CAS Common Chemistry
Melting Point
-135 °C
CAS Common Chemistry
Density
1.18 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 | 80.59 g/mol | CAS Common Chemistry |
| 79.98490437 g/mol | RDKit | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.1766 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 7 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[SiH2]C | CAS Common Chemistry |
| InChI | InChI=1S/CH5ClSi/c1-3-2/h3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YGZSVWMBUCGDCV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -135 °C | CAS Common Chemistry |
| Name | (Chlorosilyl)methane | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 0.35710000000000003 | RDKit |
| Molar Refractivity | 20.260999999999996 | RDKit |
