1-(2,4-Difluorophenyl)-1H-pyrrole-2,5-dione
Basic information
- CAS
6954-65-0- Standard SMILES
O=C1C=CC(=O)N1c1ccc(F)cc1F- InChIKey
WQAYULVQTJAUMD-UHFFFAOYSA-N- Molecular formula
- C10H5F2NO2
- Average molar mass
- 209.15 g/mol
- Monoisotopic mass
- 209.02883473
Names & identifiers
- Preferred name
- 1-(2,4-Difluorophenyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-(2,4-difluorophenyl)pyrrole-2,5-dione
- English name
- N-(2,4-Difluorophenyl)maleimide
- Molecular formula
- C10H5F2NO2
- Molecular weight
- 209.15
Names & synonyms
6954-65-01-(2,4-Difluorophenyl)-1H-pyrrole-2,5-dioneN-(2,4-Difluorophenyl)maleimide1-(2,4-difluorophenyl)pyrrole-2,5-dione1-(2,4-difluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneMFCD00033652NSC67698NCIOpen2_003259CHEMBL1774754SCHEMBL14656750SCHEMBL29485045DTXSID00290262
Show more names
AKOS MSC-0059TIMTEC-BB SBB0023811-(2,4-DIFLUORO-PHENYL)-PYRROLE-2,5-DIONE1H-Pyrrole-2,5-dione, 1-(2,4-difluorophenyl)-
JS-051CALBB-031622NSC-67698SBB002381AKOS0001167771-(2,4-difluorophenyl)azoline-2,5-dioneDB-055296CS-0219395
Database identifiers
- CAS
6954-65-0- PubChem CID
- 249406
- DTXSID
DTXSID00290262- ChEMBL
CHEMBL1774754- Nikkaji
- J393.655D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 83 · 83-85°
- Boiling point
- 304.9 · 304.9±32.0 °C(Predicted)
- Density
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- pka
- -0.98 · -0.98±0.20(Predicted)
- CAS DataBase Reference
- 6954 · 6954-65-0(CAS DataBase Reference)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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
- 2933998090
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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