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

• ChemBase ID: 69461
• Molecular Formular: C7H3NO3
• Molecular Mass: 149.10362
• Monoisotopic Mass: 149.01129296
• SMILES: c12c(cccn1)C(=O)OC2=O
• Canonical SMILES: O=C1OC(=O)c2c1nccc2
• InChI: InChI=1S/C7H3NO3/c9-6-4-2-1-3-8-5(4)7(10)11-6/h1-3H
• InChIKey: MCQOWYALZVKMAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,7H-furo[3,4-b]pyridine-5,7-dione
• IUPAC Traditional name: furo[3,4-b]pyridine-5,7-dione
• Synonyms: Pyridine-2,3-dicarboxylic anhydride; Furo[3,4-b]pyridine-5,7-dione; 2,3-Pyridinedicarboxylic Anhydride; 2,3-Pyridinedicarboxylic Acid Anhydride; NSC 44309; Pyridinic Anhydride; Quinolinic Acid Anhydride; Quinolinic Anhydride; Quinolinic anhydride; 2,3-Pyridinedicarboxylic anhydride; 2,3-Pyridinedicarboxylicanhydride; furo[3,4-b]pyridine-5,7-dione; 2,3-PYRIDINEDICARBOXYLIC ANHYDRIDE; 吡啶-2,3-二甲酸酐; 喹啉酸酐; 2,3-吡啶二羧酸酐

Database IDs

• CAS Number: 699-98-9
• EC Number: 211-834-1
• MDL Number: MFCD00005915
• Beilstein Number: 125111
• PubChem SID: 24898767; 162035187; 24853599
• PubChem CID: 69688

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.59075785
• LogD (pH = 7.4): 0.5907615
• Log P: 0.59076154
• Molar Refractivity: 34.8361 cm^3
• Polarizability: 13.27494 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134°C; 134-138°C; 136-139 °C; 137 - 139°C; 137-139 °C(lit.)
• Hydrophobicity(logP): 0.497

Safety Information

• Storage Warning: IRRITANT; Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (CHN); 95%; 95+%; 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C7H3NO3

DETAILS

MP Biomedicals - 05217976

MP Biomedicals Rare Chemical collection

Sigma Aldrich - P64405

Packaging
5, 25, 100 g in glass bottle