Basic information
- CAS
33972-81-5- Standard SMILES
CCCCCOC(=O)C(Cl)(Cl)Cl- InChIKey
LZJOVWVTJGLPFN-UHFFFAOYSA-N- Molecular formula
- C7H11Cl3O2
- Average molar mass
- 233.5 g/mol
- Monoisotopic mass
- 231.982463
Names & identifiers
- Preferred name
- Pentyl trichloroacetate
- IUPAC
- pentyl 2,2,2-trichloroacetate
- English name
- pentyl 2,2,2-trichloroacetate
- Molecular formula
- C7H11Cl3O2
- Molecular weight
- 233.52
Names & synonyms
Pentyl trichloroacetatepentyl 2,2,2-trichloroacetate33972-81-5Acetic acid, trichloro-, pentyl esterTrichloroacetic acid, pentyl esterAI3-32471Pentyl trichloroacetate #SCHEMBL9489882trichloroacetic acid pentyl esterDTXSID60187583LZJOVWVTJGLPFN-UHFFFAOYSA-Ntrichloro-acetic acid pentyl ester
Show more names
Acetic acid, 2,2,2-trichloro-, pentyl ester
NSC50961NSC 50961NSC-50961
Database identifiers
- CAS
33972-81-5- PubChem CID
- 96077
- DTXSID
DTXSID60187583
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 218 °C · 218 °C(Press: 756 Torr)
- Density
- 1.2475 g/cm3 · 1.2475 g/cm3
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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