1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
Basic information
- CAS
771-52-8- Standard SMILES
O=C1C=CC(=O)N1CC(F)(F)F- InChIKey
IWRBOJITNPGNMD-UHFFFAOYSA-N- Molecular formula
- C6H4F3NO2
- Average molar mass
- 179.1 g/mol
- Monoisotopic mass
- 179.01941286
Names & identifiers
- Preferred name
- 1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
- IUPAC
- 1-(2,2,2-trifluoroethyl)pyrrole-2,5-dione
- English name
- 1H-Pyrrole-2,5-dione, 1-(2,2,2-trifluoroethyl)-
- Molecular formula
- C6H4F3NO2
- Molecular weight
- 179.1
Names & synonyms
1-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole-2,5-dione771-52-8RefChem:420143989-150-41-(2,2,2-TRIFLUOROETHYL)PYRROLE-2,5-DIONESCHEMBL8734133N-2,2,2-trifluoroethylmaleimideIWRBOJITNPGNMD-UHFFFAOYSA-NAAA77152AKOS000249709CS-0223052EN300-113717
Show more names
1H-Pyrrole-2,5-dione, 1-(2,2,2-trifluoroethyl)-
G55749Z335243520
Database identifiers
- CAS
771-52-8- PubChem CID
- 19821160
- EC Number
- 989-150-4
- Nikkaji
- J801.054D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Melting point
- 62 · 62-63 °C
- Boiling point
- 188.4 · 188.4±40.0 °C(Predicted)
- Density
- 1.492 · 1.492±0.06 g/cm3(Predicted)
- pka
- -16.16 · -16.16±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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