Basic information
- CAS
568551-28-0- Standard SMILES
COc1cc(Cl)c(C)cc1N1C(=O)C=CC1=O- InChIKey
MLCLPRDEYYUNCY-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO3
- Average molar mass
- 251.66 g/mol
- Monoisotopic mass
- 251.0349209
Names & identifiers
- Preferred name
- 1-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
- IUPAC
- 1-(4-chloro-2-methoxy-5-methylphenyl)pyrrole-2,5-dione
Names & synonyms
568551-28-01-(4-chloro-2-methoxy-5-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dioneRefChem:425132980-416-51-(4-Chloro-2-methoxy-5-methyl-phenyl)-pyrrole-2,5-dione1-(4-chloro-2-methoxy-5-methylphenyl)pyrrole-2,5-dioneTXA55128AKOS000116767CS-0219394EN300-03880G30208Z56891313
Show more names
1-(4-chloro-2-methoxy-5-methyl-phenyl)pyrrole-2,5-dione
Database identifiers
- CAS
568551-28-0- PubChem CID
- 2392335
- EC Number
- 980-416-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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