1-Methylpyrrolidine-2,3-dione
Basic information
- CAS
42599-26-8- Standard SMILES
CN1CCC(=O)C1=O- InChIKey
DHFODCCTNFXCCQ-UHFFFAOYSA-N- Molecular formula
- C5H7NO2
- Average molar mass
- 113.11 g/mol
- Monoisotopic mass
- 113.04767847
Names & identifiers
- Preferred name
- 1-Methylpyrrolidine-2,3-dione
- IUPAC
- 1-methylpyrrolidine-2,3-dione
- English name
- 1-Methyl-2,3-Pyrrolidinedione
- Molecular formula
- C5H7NO2
- Molecular weight
- 113.11
Names & synonyms
1-methylpyrrolidine-2,3-dione42599-26-8RefChem:434679861-747-31-methyl-2,3-pyrrolidinedione2,3-Pyrrolidinedione, 1-methyl-MFCD118687541-methyl-pyrrolidine-2,3-dioneN-methylpyrroliddioneDeferrone Impurity 41-methyl-3-oxo-2-pyrrolidoneSCHEMBL1339261
Show more names
Deferiprone Impurity 10Deferiprone Impurity 18
SCHEMBL4332102DHFODCCTNFXCCQ-UHFFFAOYSA-NAKOS010810846BS-12918SY383976DS-016298CS-0139148C77472
Database identifiers
- CAS
42599-26-8- PubChem CID
- 12211348
- EC Number
- 861-747-3
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 89 · 89-91 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 178.3 · 178.3±23.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- -1.57 · -1.57±0.20(Predicted)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…