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| IUPAC Name: | 1-chloro-3-methylbut-2-ene |
| Description: | 1-Chloro-3-methyl-2-butene (CAS# 503-60-6) is a reactive allylic chloride that is used as an alkylating agent in synthetic chemistry. 1-Chloro-3-methyl-2-butene is also used as a reagent to synthesize Hyperforin, an antibiotic originating from St. John's wort that has the ability to inhibit growth of tumour cells. |
| Molecular Weight: | 104.58 |
| Molecular Formula: | C5H9Cl |
| Canonical SMILES: | CC(=CCCl)C |
| InChI: | InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3 |
| InChI Key: | JKXQKGNGJVZKFA-UHFFFAOYSA-N |
| Boiling Point: | 58-59 ℃ (120 mmHg) |
| Purity: | 98 % |
| Density: | 0.928 g/cm3 |
| Solubility: | Insol in water; sol in alcohol, Ether, Acetone; very sol in chloroform |
| Appearance: | Colorless liquid |
| MDL: | MFCD00000982 |
| LogP: | 2.19140 |
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