1-Methylbutyl trichloroacetate
pentan-2-yl 2,2,2-trichloroacetate
Also Known As: 1-Methylbutyl trichloroacetate|Pentan-2-yl trichloroacetate|Trichloroacetic acid, 2-pentyl ester|1-Methylbutyl trichloroacetate #|pentan-2-yl 2,2,2-trichloroacetate|Acetic acid, trichloro, 1-methylbutyl ester|Acetic acid, trichloro-, 1-methylbutyl ester
CAS: 78031-35-3
| Molecular Formula | C7H11Cl3O2 |
|---|---|
| Molecular Weight | 231.98247 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.98247 |
| Monoisotopic Mass | 231.98247 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 78031-35-3 |
|---|---|
| SMILES | CCCC(C)OC(=O)C(Cl)(Cl)Cl |
| InChIKey | GKGUCQJRCNVBMU-UHFFFAOYSA-N |
Product Overview
1-Methylbutyl trichloroacetate (CAS 78031-35-3), with molecular formula C7H11Cl3O2 and molecular weight 231.98247 g/mol. IUPAC: pentan-2-yl 2,2,2-trichloroacetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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