1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione
Basic information
- CAS
31581-09-6- Standard SMILES
Cc1cccc(N2C(=O)C=CC2=O)c1C- InChIKey
UOZNXGJVAWDLQK-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- 1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-(2,3-dimethylphenyl)pyrrole-2,5-dione
- English name
- 1-(2,3-Dimethyl-phenyl)-pyrrole-2,5-dione
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dionen-(2,3-xylyl)maleimideDTXSID50953552RefChem:420371DTXCID201381601666-308-831581-09-61-(2,3-dimethylphenyl)pyrrole-2,5-dione1-(2,3-Dimethyl-phenyl)-pyrrole-2,5-dioneMFCD000306601-(2,3-dimethylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-(2,3-dimethylphenyl)-
Show more names
AKOS B001451AKOS MSC-0069ART-CHEM-BB B0014511-(2,3-dimethylphenyl)-3-pyrroline-2,5-quinone
N-2,3-XylylmaleimideN-(2,3-Dimethylphenyl)maleimideMaleimide, N-2,3-xylyl-1-(2,3-dimethylphenyl)azoline-2,5-dione1H-Pyrrole-2,5-dione,1-(2,3-dimethylphenyl)-SCHEMBL710771SCHEMBL29440938UOZNXGJVAWDLQK-UHFFFAOYSA-N
Database identifiers
- CAS
31581-09-6- PubChem CID
- 93153
- DTXSID
DTXSID50953552- EC Number
- 666-308-8
- Nikkaji
- J670.440I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 348.6 · 348.6±31.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- 0.03 · 0.03±0.20(Predicted)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 H-Pyrrole-2,5-dione, · 1H-Pyrrole-2,5-dione, 1-(2,3-dimethylphenyl)- (31581-09-6)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P305+P351+P338-P310-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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