Basic information
- CAS
85077-83-4- Standard SMILES
CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1- InChIKey
WOEWZUVYAGJQOT-UHFFFAOYSA-N- Molecular formula
- C18H11F3O4
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.06094331
Names & identifiers
- Preferred name
- 4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate
- IUPAC
- [4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] acetate
- English name
- 4-Oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate
- Molecular formula
- C18H11F3O4
- Molecular weight
- 348.27
Names & synonyms
4-oxo-3-phenyl-2-(trifluoromethyl)-4H-chromen-7-yl acetate85077-83-4ChemDiv3_001532F0758-0069[4-oxo-3-phenyl-2-(trifluoromethyl)chromen-7-yl] acetateHMS1477F14AKOS003615963IDI1_020498SR-01000443995SR-01000443995-1BRD-K87281115-001-01-74H-1-Benzopyran-4-one, 7-(acetyloxy)-3-phenyl-2-(trifluoromethyl)-
Database identifiers
- CAS
85077-83-4- PubChem CID
- 746435
- EC Number
- 126-591-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 575
Physicochemical properties
- Boiling point
- 413.5 · 413.5±45.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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 CategoriesAcute Tox. 3 (100%)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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