Basic information
- CAS
64372-57-2- Standard SMILES
O=C1OCc2cc(C(F)(F)F)ccc21- InChIKey
LUJFGQYYROYBCI-UHFFFAOYSA-N- Molecular formula
- C9H5F3O2
- Average molar mass
- 202.13 g/mol
- Monoisotopic mass
- 202.02416388
Names & identifiers
- Preferred name
- 5-(Trifluoromethyl)-2-benzofuran-1(3H)-one
- IUPAC
- 5-(trifluoromethyl)-3H-2-benzofuran-1-one
- English name
- 5-(Trifluoromethyl)isobenzofuran-1(3H)-one
- Molecular formula
- C9H5F3O2
- Molecular weight
- 202.13
Names & synonyms
64372-57-2DTXSID404948235-(Trifluoromethyl)-2-benzofuran-1(3H)-oneRefChem:300737DTXCID404456335-(TRIFLUOROMETHYL)ISOBENZOFURAN-1(3H)-ONE5-(trifluoromethyl)-1,3-dihydro-2-benzofuran-1-oneSCHEMBL9123030SCHEMBL30040123LUJFGQYYROYBCI-UHFFFAOYSA-NAKOS0266699955-(trifluoromethyl)-3H-isobenzofuran-1-one
Show more names
1(3H)-Isobenzofuranone, 5-(trifluoromethyl)-
CS-0199908
Database identifiers
- CAS
64372-57-2- PubChem CID
- 12371071
- DTXSID
DTXSID40494823- Nikkaji
- J1.800.059H
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 74 · 74-75 °C(Solv: hexane (110-54-3))
- Boiling point
- 106 · 106-111 °C(Press: 1 Torr)
- Density
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers4 total
济宁一泽医药科技有限公司15192473210 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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