1-(4-{[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]methyl}phenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 151523
• Molecular Formular: C21H14N2O4
• Molecular Mass: 358.34686
• Monoisotopic Mass: 358.09535694
• SMILES: c1cc(ccc1Cc1ccc(cc1)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
• Canonical SMILES: O=C1C=CC(=O)N1c1ccc(cc1)Cc1ccc(cc1)N1C(=O)C=CC1=O
• InChI: InChI=1S/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2
• InChIKey: XQUPVDVFXZDTLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-{[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]methyl}phenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: 1-(4-{[4-(2,5-dioxopyrrol-1-yl)phenyl]methyl}phenyl)pyrrole-2,5-dione
• Synonyms: 1,1'-(Methylenedi-4,1-phenylene)bismaleimide; 4,4'-Methylenebis(N-phenylmaleimide); Bismaleimide; 1,1′-(Methylenedi-4,1-phenylene)bismaleimide; 4,4'-亚甲基双(N-苯基马来酰亚胺); 双马来酰亚胺; N,N′-(4,4′-亚甲基二苯基)双马来酰亚胺

Database IDs

• CAS Number: 13676-54-5
• EC Number: 237-163-4
• MDL Number: MFCD00005507
• Beilstein Number: 333986
• PubChem SID: 24853634; 162245676
• PubChem CID: 83648

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6100097
• LogD (pH = 7.4): 2.6100113
• Log P: 2.6100113
• Molar Refractivity: 99.7306 cm^3
• Polarizability: 37.01366 Å^3
• Polar Surface Area: 74.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156-158 °C(lit.); 156-158°C

Safety Information

• RTECS: ON5670000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811; UN2811
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 23-36/37/38
• Safety Statements: 26-36/37-45; 26-45
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H319-H330-H335; H330-H315-H319-H335
• GHS Precautionary statements: P260-P284-P305 + P351 + P338-P310; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C21H14N2O4

DETAILS

Sigma Aldrich - 227463

Packaging
25, 100 g in poly bottle