5H,7H-furo[3,4-b]pyrazine-5,7-dione

• ChemBase ID: 65498
• Molecular Formular: C6H2N2O3
• Molecular Mass: 150.09168
• Monoisotopic Mass: 150.00654193
• SMILES: c12c(nccn1)C(=O)OC2=O
• Canonical SMILES: O=C1OC(=O)c2c1nccn2
• InChI: InChI=1S/C6H2N2O3/c9-5-3-4(6(10)11-5)8-2-1-7-3/h1-2H
• InChIKey: AWJWCTOOIBYHON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,7H-furo[3,4-b]pyrazine-5,7-dione
• IUPAC Traditional name: 5H-furo[3,4-b]pyrazine-5,7-dione; furo[3,4-b]pyrazine-5,7-dione
• Synonyms: 2,3-Pyrazinedicarboxylic anhydride; 2,3-Pyrazinedicarboxylic anhydride; furo[3,4-b]pyrazine-5,7-dione; Furo[3,4-b]pyrazine-5,7-dione; 2,3-Pyrazinedicarboxylic acid anhydride; 呋[3,4-b]吡嗪-5,7-二酮; 2,3-吡嗪二羧酸酐

Database IDs

• CAS Number: 4744-50-7
• EC Number: 225-260-4
• MDL Number: MFCD00179418
• PubChem SID: 162031237; 24865287
• PubChem CID: 78482

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.24106055
• LogD (pH = 7.4): -0.24106055
• Log P: -0.24106055
• Molar Refractivity: 32.3072 cm^3
• Polarizability: 12.47632 Å^3
• Polar Surface Area: 69.15 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 210 °C (dec.)(lit.); 210°Cdec; 214 - 215°C
• Hydrophobicity(logP): -0.458

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C6H2N2O3

DETAILS

Sigma Aldrich - 405019

Packaging
25 g in poly bottle
5 g in glass bottle