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Molecule
(2E)-1-Chloro-2-Butene
CAS: 4894-61-5 · C4H7Cl
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4894-61-5
- Molecular Formula
- C4H7Cl
- Molecular Mass
- 90.55 g/mol
Identifiers
CAS Registry Number
4894-61-5
SMILES
C/C=C/CCl
InChI Key
YTKRILODNOEEPX-NSCUHMNNSA-N
InChI
InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+
Names and Synonyms
- (2E)-1-Chloro-2-Butene Common Name
- 2-Butene, 1-chloro-, (2E)- Synonym
- 2-Butene, 1-chloro-, (E)- Synonym
- 2-Butene, 1-chloro-, trans- Synonym
- (2E)-1-Chloro-2-butene Synonym
- trans-Crotyl chloride Synonym
- trans-γ-Methallyl chloride Synonym
- trans-1-Chloro-2-butene Synonym
- (E)-1-Chloro-2-butene Synonym
- trans-But-2-enyl chloride Synonym
- (E)-Crotyl chloride Synonym
- (E)-2-Butenyl chloride Synonym
- trans-4-Chloro-2-butene Synonym
- (E)-1-Chlorobut-2-ene 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 | 0.93 g/cm³ | CAS Common Chemistry |
| 0.9295 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 85 °C | CAS Common Chemistry |
| Canonical SMILES | ClCC=CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H7Cl/c1-2-3-4-5/h2-3H,4H2,1H3/b3-2+ | CAS Common Chemistry |
| InChI Key | InChIKey=YTKRILODNOEEPX-NSCUHMNNSA-N | CAS Common Chemistry |
| Name | (2E)-1-Chloro-2-butene | 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...
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200 ppm
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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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MW = 90.55 g/mol; density = 0.930 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H7Cl.
