2,5-dihydro(2H2)furan-2,5-dione

• ChemBase ID: 149505
• Molecular Formular: C4H2O3
• Molecular Mass: 98.05688
• Monoisotopic Mass: 98.00039392
• SMILES: C1=CC(=O)OC1=O
• Canonical SMILES: O=C1C=CC(=O)O1
• InChI: InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H
• InChIKey: FPYJFEHAWHCUMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dihydro(^2H₂)furan-2,5-dione
• IUPAC Traditional name: (^2H₂)furan-2,5-dione
• Synonyms: Maleic anhydride-d2; 马来酸酐-d2

Database IDs

• CAS Number: 33225-51-3
• MDL Number: MFCD00075276
• PubChem SID: 162243670; 24861201
• PubChem CID: 13000553

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.55992436
• LogD (pH = 7.4): 0.55992436
• Log P: 0.55992436
• Molar Refractivity: 21.4016 cm^3
• Polarizability: 8.099507 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 51-56 °C(lit.)
• Boiling Point: 200 °C(lit.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2215
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34-42/43
• Safety Statements: 22-26-36/37/39-45
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H317-H334
• GHS Precautionary statements: P261-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 2215 8/PG 3

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 100.03 by atom % calculation
• Empirical Formula (Hill Notation): C4D2O3

DETAILS

Sigma Aldrich - 343781

Packaging
1, 5 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.