1H,3H-furo[3,4-c]pyridine-1,3-dione

• ChemBase ID: 19142
• Molecular Formular: C7H3NO3
• Molecular Mass: 149.10362
• Monoisotopic Mass: 149.01129296
• SMILES: C1(=O)c2c(C(=O)O1)cncc2
• Canonical SMILES: O=C1OC(=O)c2c1cncc2
• InChI: InChI=1S/C7H3NO3/c9-6-4-1-2-8-3-5(4)7(10)11-6/h1-3H
• InChIKey: KFKMGUPDWTWQFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,3H-furo[3,4-c]pyridine-1,3-dione
• IUPAC Traditional name: furo[3,4-c]pyridine-1,3-dione
• Synonyms: Pyridine-3,4-dicarboxylic anhydride; 3,4-Pyridinedicarboxylic anhydride; Cinchomeronic anhydride; 1,3-Dihydrofuro[3,4-c]pyridine-1,3-dione; Pyridine-3,4-dicarboxylic acid anhydride; 3,4-Pyridinedicarboxylic acid anhydride; 1,3-dihydrofuro[3,4-c]pyridine-1,3-dione; Furo[3,4-c]pyridine-1,3-dione; 吡啶-3,4-二甲酸酐; 吡啶-3,4-二羧酸酐; 3,4-吡啶二酸酐

Database IDs

• CAS Number: 4664-08-8
• MDL Number: MFCD00010680
• PubChem SID: 24857065; 160982449
• PubChem CID: 278398

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.20486215
• LogD (pH = 7.4): 0.20491059
• Log P: 0.20491122
• Molar Refractivity: 35.2081 cm^3
• Polarizability: 13.269676 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75-77 °C(lit.); 75-77°C; 75-79°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Moisture Sensitive; Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: false; 否
• 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: 97%
• Empirical Formula (Hill Notation): C7H3NO3

DETAILS

Sigma Aldrich - 282715

Packaging
1, 5 g in glass bottle