3,4-dichloro-1-(pentafluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 9894
• Molecular Formular: C10Cl2F5NO2
• Molecular Mass: 332.010516
• Monoisotopic Mass: 330.92262471
• SMILES: c1(c(c(c(c(c1N1C(=O)C(=C(C1=O)Cl)Cl)F)F)F)F)F
• Canonical SMILES: O=C1C(=C(C(=O)N1c1c(F)c(F)c(c(c1F)F)F)Cl)Cl
• InChI: InChI=1S/C10Cl2F5NO2/c11-1-2(12)10(20)18(9(1)19)8-6(16)4(14)3(13)5(15)7(8)17
• InChIKey: QQUWZXNLBVBCLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dichloro-1-(pentafluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 3,4-dichloro-1-(pentafluorophenyl)pyrrole-2,5-dione
• Synonyms: N-Pentafluorophenyldichloromaleimide; N-(Pentafluorophenyl)dichloromaleimide; Dichloro-N-(pentafluorophenyl)maleimide; N-Pentafluorophenyldichloromaleimide 97%; N-(五氟苯基)二氯马来酰胺

Database IDs

• CAS Number: 186958-58-7
• EC Number: 000-000-0
• MDL Number: MFCD00054728
• PubChem SID: 160973201
• PubChem CID: 360352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.737146
• LogD (pH = 7.4): 2.737146
• Log P: 2.737146
• Molar Refractivity: 58.6903 cm^3
• Polarizability: 21.279312 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148-151°C; 148-151°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%