Basic information
- CAS
85541-57-7- Standard SMILES
CO[C@@](C(=O)OC(=O)[C@](OC)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F- InChIKey
AATFPUCRBIXXID-QZTJIDSGSA-N- Molecular formula
- C20H16F6O5
- Average molar mass
- 450.3 g/mol
- Monoisotopic mass
- 450.09019258
Names & identifiers
- Preferred name
- (+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic Anhydride
- IUPAC
- [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Names & synonyms
RefChem:390566672-684-4(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic AnhydrideD91486
Database identifiers
- CAS
85541-57-7- PubChem CID
- 14984591
- EC Number
- 672-684-4
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 583
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…