Butyl trichloroacetate
Basic information
- CAS
3657-07-6- Standard SMILES
CCCCOC(=O)C(Cl)(Cl)Cl- InChIKey
SECVZLDDYUWJAC-UHFFFAOYSA-N- Molecular formula
- C6H9Cl3O2
- Average molar mass
- 219.5 g/mol
- Monoisotopic mass
- 217.966813
Names & identifiers
- Preferred name
- Butyl trichloroacetate
- IUPAC
- butyl 2,2,2-trichloroacetate
- English name
- butyl trichloroacetate
- Molecular formula
- C6H9Cl3O2
- Molecular weight
- 219.49
Names & synonyms
Butyl trichloroacetateTrichloroacetic acid butyl esterbutyl 2,2,2-trichloroacetate3657-07-6Acetic acid, trichloro-, butyl estern-Butyl trichloroacetateAcetic acid,2,2,2-trichloro-, butyl esterSCHEMBL2000027SCHEMBL6636800SCHEMBL6636802trichloro-acetic acid butyl esterDTXSID10190067
Show more names
Acetic acid, 2,2,2-trichloro-, butyl ester
Trichloroacetic acid, butyl esterNSC42927EINECS 222-903-0NSC 42927NSC-42927SBB061235AKOS024390947AI3-11626
Database identifiers
- CAS
3657-07-6- PubChem CID
- 77219
- DTXSID
DTXSID10190067- EC Number
- 222-903-0
- Nikkaji
- J43.293H
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 314.84 °C · 314.84°C (rough estimate)
- Density
- 1.2778 · 1.2778
- refractive index
- 1.4525 · 1.4525 (estimate)
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Related reactions
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Compound notes
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