1,3-CYCLOHEPTADIENE
- CAS NO.：4054-38-0
- Empirical Formula: C7H10
- Molecular Weight: 94.15
- MDL number: MFCD00004155
- EINECS: 223-762-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 1,3-CYCLOHEPTADIENE?
The Uses of 1,3-CYCLOHEPTADIENE
1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones.
General Description
1,3-Cycloheptadiene is a 1,3-cycloalkadiene. Isomerization of highly strained (E,E)-1,3-cycloheptadiene was investigated through double bond rotation, and electrocyclic ring closure. [1,5] Sigmatropic hydrogen shifts in 1,3-cyclohepatdiene were studied by density functional calculations.
Purification Methods
Purify the diene by dissolving it in Et2O, washing with 5% HCl, H2O, drying (MgSO4), evaporating, and the residue is distilled under dry N2 through a semi-micro column (some foaming occurs) [Cope et al. J Am Chem Soc 79 6287 1957, UV: Pesch & Friess J Am Chem Soc 72 5756 1950]. [Beilstein 5 IV 390.]
Properties of 1,3-CYCLOHEPTADIENE
| Melting point: | -110.4°C |
| Boiling point: | 120-121 °C (lit.) |
| Density | 0.868 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 52 °F |
| storage temp. | 2-8°C |
| Water Solubility | 619.2mg/L(temperature not stated) |
| BRN | 1847604 |
Safety information for 1,3-CYCLOHEPTADIENE
| Signal word | Danger |
| Pictogram(s) |
 Flame Flammables GHS02  Health Hazard GHS08 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
Computed Descriptors for 1,3-CYCLOHEPTADIENE
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