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Methacryloyl Chloride
CAS: 920-46-7 | C4H5ClO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
920-46-7
Molecular Formula:
C4H5ClO
Molecular Mass:
104.54 g/mol
Names and Synonyms:
Methacryloyl Chloride
2-Propenoyl chloride, 2-methyl-
Methacryloyl chloride
2-Methyl-2-propenoyl chloride
Methacrylyl chloride
Methacrylic acid chloride
Methacrylic chloride
α-Methylacryloyl chloride
2-Methylpropenoic acid chloride
2-Methylacryloyl chloride
Identifiers:
SMILES:
C=C(C)C(=O)Cl
InChI:
InChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3
Key Properties
Boiling Point
96 °C
CAS Common Chemistry
Melting Point
-60 °C
CAS Common Chemistry
Density
1.09 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 | 104.54 g/mol | CAS Common Chemistry |
| 104.53599999999999 g/mol | RDKit | |
| 104.00289246 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.0871 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methacryloyl_chloride | CAS Common Chemistry |
| Boiling Point | 96 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(Cl)C(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H5ClO/c1-3(2)4(5)6/h1H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VHRYZQNGTZXDNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -60 °C | CAS Common Chemistry |
| Name | Methacryloyl chloride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 1.3279 | RDKit |
| Molar Refractivity | 25.673999999999992 | RDKit |
