1-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

• ChemBase ID: 89860
• Molecular Formular: C5H5NO2
• Molecular Mass: 111.0987
• Monoisotopic Mass: 111.03202841
• SMILES: N1(C(=O)C=CC1=O)C
• Canonical SMILES: CN1C(=O)C=CC1=O
• InChI: InChI=1S/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3
• InChIKey: SEEYREPSKCQBBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
• IUPAC Traditional name: maleimide, N-methyl-
• Synonyms: N-Methylmaleimide; N-METHYLMALEIMIDE; 1-Methyl-1H-pyrrole-2,5-dione; 1-methyl-1H-pyrrole-2,5-dione; N-Methylmaleimide; N-Methyl-2,5-pyrroledione; N-甲基马来酰亚胺

Database IDs

• CAS Number: 930-88-1
• EC Number: 213-226-1
• MDL Number: MFCD00005508
• Beilstein Number: 108550
• PubChem SID: 24864283; 162076715
• PubChem CID: 70261

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.41222686
• LogD (pH = 7.4): -0.41222686
• Log P: -0.41222686
• Molar Refractivity: 28.2481 cm^3
• Polarizability: 10.311999 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94-96 °C(lit.); 94-96°C; 94-96°C; 95 - 97°C
• Hydrophobicity(logP): -0.18

Safety Information

• Storage Condition: 2-8°C, Desiccate
• RTECS: ON5600000
• European Hazard Symbols: Corrosive (C); Toxic (T)
• UN Number: 1759; UN2928
• German water hazard class: 3
• Hazard Class: 6.1; 8
• Packing Group: 2; II
• Risk Statements: 22-34-43; 23/24/25-34-43
• Safety Statements: 26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H310-H330-H317-H314-H318; H302-H314-H317
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Purity: 95%; 97%; 98+%
• Empirical Formula (Hill Notation): C5H5NO2

DETAILS

MP Biomedicals - 02102235

Crystalline

Sigma Aldrich - 389412

Packaging
5, 25 g in glass bottle

REFERENCES

• Reactive dienophile and dipolarophile.