1-(3,4-Dichlorophenyl)-1H-pyrrole-2,5-dione
Basic information
- CAS
19844-27-0- Standard SMILES
O=C1C=CC(=O)N1c1ccc(Cl)c(Cl)c1- InChIKey
PJBXBDSTURWRBO-UHFFFAOYSA-N- Molecular formula
- C10H5Cl2NO2
- Average molar mass
- 242.05 g/mol
- Monoisotopic mass
- 240.9697338
Names & identifiers
- Preferred name
- 1-(3,4-Dichlorophenyl)-1H-pyrrole-2,5-dione
- IUPAC
- 1-(3,4-dichlorophenyl)pyrrole-2,5-dione
- English name
- 1-(3,4-Dichloro-phenyl)-pyrrole-2,5-dione
- Molecular formula
- C10H5Cl2NO2
- Molecular weight
- 242.06
Names & synonyms
19844-27-01-(3,4-dichlorophenyl)-1H-pyrrole-2,5-dioneDTXSID00351741RefChem:223959DTXCID303028071-(3,4-dichlorophenyl)pyrrole-2,5-dione1H-Pyrrole-2,5-dione, 1-(3,4-dichlorophenyl)-MFCD005402211-(3,4-dichlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1-(3,4-dichlorophenyl)azoline-2,5-dione1-(3,4-dichloro-phenyl)-pyrrole-2,5-dione1-(3,4-Dichlorophenyl)maleimide
Show more names
AURORA 12633AKOS B006715AKOS MSC-0036ASISCHEM C66326TIMTEC-BB SBB000817ART-CHEM-BB B006715N-(3,4-Dichlorophenyl)maleimide1-(3,4-DICHLORPHENYL)-1H-PYRROLE-2,5-DIONE
Cyto8G6SCHEMBL2345040CHEMBL45541513,4-dichloro-N-phenyl maleimidePJBXBDSTURWRBO-UHFFFAOYSA-NALBB-017502SBB000817STK347681
Database identifiers
- CAS
19844-27-0- PubChem CID
- 708301
- DTXSID
DTXSID00351741- ChEMBL
CHEMBL4554151- EC Number
- 997-094-7
- Nikkaji
- J195.890I
Properties
Computed structural properties
- XLogP
- 2.3
- 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
- 311
Physicochemical properties
- Melting point
- 170 °C · 170 °C
- Boiling point
- 396.2 · 396.2±32.0 °C(Predicted)
- Density
- 1.57 · 1.570±0.06 g/cm3(Predicted)
- pka
- -2.74 · -2.74±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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. 3 (100%)
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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