2-(Trifluoromethyl)phenyl acetate
Basic information
- CAS
3038-48-0- Standard SMILES
CC(=O)Oc1ccccc1C(F)(F)F- InChIKey
GNFCRFCIPJLCLB-UHFFFAOYSA-N- Molecular formula
- C9H7F3O2
- Average molar mass
- 204.15 g/mol
- Monoisotopic mass
- 204.03981395
Names & identifiers
- Preferred name
- 2-(Trifluoromethyl)phenyl acetate
- IUPAC
- [2-(trifluoromethyl)phenyl] acetate
- English name
- 2-(Trifluoromethyl)phenyl acetate
- Molecular formula
- C9H7F3O2
- Molecular weight
- 204.15
Names & synonyms
2-(trifluoromethyl)phenyl acetate400629-06-3Phenol,2-(trifluoromethyl)-, 1-acetateSCHEMBL1577432SCHEMBL8125091DTXSID90871882EINECS 221-240-4SBB093252AKOS025310400acetic acid-2-trifluoromethylphenyl ester2-AcetoxybenzotrifluoridePhenol, 2-(trifluoromethyl)-, 1-acetate
Show more names
2-(TRIFLUOROMETHYL)PHENYL ACETATE, 97% MIN.
Database identifiers
- CAS
3038-48-0、400629-06-3- PubChem CID
- 76436
- DTXSID
DTXSID90871882
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 212.9 · 212.9±40.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- HS Code
- 2916399090 · 2916399090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2916399090
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Related reactions
2 records
Compound notes
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