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Molecule
Methallyl Chloride
CAS: 563-47-3 · C4H7Cl
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 563-47-3
- Molecular Formula
- C4H7Cl
- Molecular Mass
- 90.55 g/mol
Identifiers
CAS Registry Number
563-47-3
SMILES
C=C(C)CCl
InChI Key
OHXAOPZTJOUYKM-UHFFFAOYSA-N
InChI
InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3
Names and Synonyms
- Methallyl Chloride Synonym
- β-Methallyl chloride Synonym
- 2-Methyl-3-chloro-1-propene Synonym
- 1-Propene, 3-chloro-2-methyl- Synonym
- Propene, 3-chloro-2-methyl- Synonym
- 3-Chloro-2-methyl-1-propene Synonym
- γ-Chloroisobutylene Synonym
- Isobutenyl chloride Synonym
- Methallyl chloride Synonym
- 1-Chloro-2-methyl-2-propene Synonym
- 2-Methylallyl chloride Synonym
- 2-Methyl-2-propenyl chloride Synonym
- 3-Chloro-2-methylpropene Synonym
- Methylallyl chloride Synonym
- 2-Methallyl chloride Synonym
- 2-Methyl-3-chloropropene Synonym
- 2-(Chloromethyl)-1-propene Synonym
- NSC 7303 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 90.55 g/mol | CAS Common Chemistry |
| 90.553 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.9165 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methallyl_chloride | CAS Common Chemistry |
| Boiling Point | 71-72 °C | CAS Common Chemistry |
| Canonical SMILES | ClCC(=C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OHXAOPZTJOUYKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-80 °C | CAS Common Chemistry |
| Name | 3-Chloro-2-methyl-1-propene | CAS Common Chemistry |
| Methallyl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.8013 | RDKit |
| Molar Refractivity | 25.53399999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 90.023627904 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 90.55 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7Cl.
