3,4-Pyridinedicarboxylic Acid

• CAS: 490-11-9
• Catalog Number: ACM-MO-490119
• Category: Pyridines; Dicarboxylic Acid Monomers
• Molecular Weight: 167.12 g/mol
• Molecular Formula: C7H5NO4
• Synonyms: Cinchomeronic Acid
• IUPAC Name: pyridine-3,4-dicarboxylic acid
• Canonical SMILES: C1=CN=CC(=C1C(=O)O)C(=O)O
• InChI: InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-3-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
• InChI Key: MUYSADWCWFFZKR-UHFFFAOYSA-N
• Boiling Point: 295.67°C (rough estimate)
• Melting Point: 260 °C (dec.)
• Density: 1.5216 (rough estimate)
• Solubility: Insoluble in water.
• Appearance: White to Light Yellow to Light Orange Powder to Crystal
• Storage: Store under inert gas
• Complexity: 204
• Condition To Avoid: Air Sensitive
• Covalently-Bonded Unit Count: 1
• EC Number: 207-705-4
• Exact Mass: 167.021858g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 12
• MDL Number: MFCD00006392
• Monoisotopic Mass: 167.021858g/mol
• NSC Number: 178
• Physical State: Solid
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Refractive Index: 1.62
• Rotatable Bond Count: 2
• Signal Word: Warning
• Specific Gravity: 1.16
• UNII: 7389UZW5DY
• XLogP3: -0.1