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| IUPAC Name: | 1-chloro-2,2-dimethylpropane |
| Description: | 1-Chloro-2,2-dimethylpropane (CAS# 753-89-9) is used as a reactant in the SN2 reaction for alkyl chlorides with Cl-; IMOMO(Integrated MO MO) method for large systems. |
| Molecular Weight: | 106.59 |
| Molecular Formula: | C5H11Cl |
| Canonical SMILES: | CC(C)(C)CCl |
| InChI: | InChI=1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3 |
| InChI Key: | JEKYMVBQWWZVHO-UHFFFAOYSA-N |
| Boiling Point: | 84 °C |
| Melting Point: | -20 °C (lit.) |
| Purity: | 95 % |
| Density: | 0.86 g/cm3 |
| Appearance: | Colorless liq. |
| LogP: | 2.27130 |
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