1-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 41307
• Molecular Formular: C10H6ClNO2
• Molecular Mass: 207.61314
• Monoisotopic Mass: 207.00870612
• SMILES: N1(C(=O)C=CC1=O)c1ccc(cc1)Cl
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(cc1)Cl
• InChI: InChI=1S/C10H6ClNO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H
• InChIKey: FPZQYYXSOJSITC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: maleimide, N-(p-chlorophenyl)-
• Synonyms: 1-(4-Chlorophenyl)maleimide; 4-(CHLOROPHENYL)MALEAMIC ACID; N-(4-CHLOROPHENYL)MALEIMIDE; 1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione; 1-(4-Chloro-phenyl)-pyrrole-2,5-dione

Database IDs

• CAS Number: 209159-28-4; 1631-29-4
• MDL Number: MFCD00022574
• PubChem SID: 162046070
• PubChem CID: 15400

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8497754
• LogD (pH = 7.4): 1.8497763
• Log P: 1.8497763
• Molar Refractivity: 52.8305 cm^3
• Polarizability: 19.894371 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 110 - 112 °C; 110-112°C; 114-116°C
• Hydrophobicity(logP): 2.142

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%

DETAILS

MP Biomedicals - 05226221

MP Biomedicals Rare Chemical collection

MP Biomedicals - 05226201

MP Biomedicals Rare Chemical collection