Basic information
- CAS
72929-02-3- Standard SMILES
CC(C)C(=O)OC(c1ccccc1)C(Cl)(Cl)Cl- InChIKey
WPPIDRMGMMPCMO-UHFFFAOYSA-N- Molecular formula
- C12H13Cl3O2
- Average molar mass
- 295.6 g/mol
- Monoisotopic mass
- 293.998113
Names & identifiers
- Preferred name
- Propanoic acid, 2-methyl-, 2,2,2-trichloro-1-phenylethyl ester
- IUPAC
- (2,2,2-trichloro-1-phenylethyl) 2-methylpropanoate
- English name
- 2,2,2-trichloro-1-phenylethyl isobutyrate
- Molecular formula
- C12H13Cl3O2
- Molecular weight
- 295.58942
Names & synonyms
72929-02-3alpha-(Trichloromethyl)benzylisobutyrateEINECS 277-100-8DTXSID60868209Propanoic acid, 2-methyl-, 2,2,2-trichloro-1-phenylethyl esterRefChem:869294DTXCID308163382,2,2-Trichloro-1-phenylethyl isobutyrate2,2,2-trichloro-1-phenylethyl 2-methylpropanoateWPPIDRMGMMPCMO-UHFFFAOYSA-NNS000617112-Methylpropanoic acid 2,2,2-trichloro-1-phenylethyl ester
Database identifiers
- CAS
72929-02-3- PubChem CID
- 166375
- DTXSID
DTXSID60868209- EC Number
- 277-100-8
- Nikkaji
- J296.419H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- EPA Substance Registry System
- 2 · 2,2,2-Trichloro-1-phenylethyl isobutyrate (72929-02-3)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Propanoic acid, 2-methyl-, 2,2,2-trichloro-1-phenylethyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 2-methyl-, 2,2,2-trichloro-1-phenylethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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