Basic information
- CAS
63867-10-7- Standard SMILES
CCC(Cl)(CC)C(=O)OCC(Cl)(Cl)Cl- InChIKey
VCWJEHDQXIPHQM-UHFFFAOYSA-N- Molecular formula
- C8H12Cl4O2
- Average molar mass
- 282 g/mol
- Monoisotopic mass
- 279.95914
Names & identifiers
- Preferred name
- Butyric acid, 2-chloro-2-ethyl-, trichloroethyl ester
- IUPAC
- 2,2,2-trichloroethyl 2-chloro-2-ethylbutanoate
- English name
- 2-Chloro-2-ethylbutyric acid 2,2,2-trichloroethyl ester
- Molecular formula
- C8H12Cl4O2
- Molecular weight
- 281.99
Names & synonyms
63867-10-7Trichloroethyl 1-chloro-1-ethylbutyrateBUTYRIC ACID, 2-CHLORO-2-ETHYL-, TRICHLOROETHYL ESTER2-Chloro-2-ethylbutyric acid, ester with trichloroethanolDTXSID80213297RefChem:331266DTXCID801357882,2,2-trichloroethyl 2-chloro-2-ethylbutanoate2-Chloro-2-ethylbutyric acid 2,2,2-trichloroethyl esterDB-302931Butanoic acid, 2-chloro-2-ethyl-, 2,2,2-trichloroethyl ester
Database identifiers
- CAS
63867-10-7- PubChem CID
- 44841
- DTXSID
DTXSID80213297- Nikkaji
- J65.875H
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 335 · 335.0±37.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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