Quinolinic Acid

• Catalog Number: ACM89009
• Product Name: Quinolinic Acid
• CAS: 89-00-9
• Category: Heterocyclic Organic Compound
• Description: DryPowder;Solid
• Synonyms: Pyridin-2,3-dicarbonsaeure
• IUPAC Name: Pyridine-2,3-dicarboxylic acid
• Molecular Weight: 167.12
• Molecular Formula: C7H5NO4
• Canonical SMILES: C1=CC(=C(N=C1)C(=O)O)C(=O)O
• InChI: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
• InChI Key: GJAWHXHKYYXBSV-UHFFFAOYSA-N
• Boiling Point: 295.67 °C
• Melting Point: 188-190 °C(lit.)
• Flash Point: 210.9 °C
• Density: 1.5216 g/cm³
• Solubility: Slightly soluble in trifluoroacetic acid, insoluble in ethanol
• Appearance: Crystalline powder
• Storage: Keep in dark place, sealed in dry, room temperature
• Color/Form: Crystals;Monoclinic crystals from water
• Complexity: 204
• Covalently-Bonded Unit Count: 1
• EC Number: 201-874-8
• Exact Mass: 167.02185764
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 12
• LogP: log Kow = -0.12 (est)
• Monoisotopic Mass: 167.02185764
• NSC Number: 403247;18836;13127
• Odor: Odorless
• Other Experimental: 190 °C when rapidly heated, with decomposition into CO2 and nicotinic acid;Henry's Law constant = 2.86X10-15 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 1.08X10-12 cu cm/molec-sec at 25 °C (est)
• Refractive Index: 1.628
• Rotatable Bond Count: 2
• Safety Description: 26-36/37-24/25-37
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 87.5 Ų
• UNII: F6F0HK1URN
• Vapor Pressure: 6.1X10-6 mm Hg at 25 °C (est)
• XLogP3: 0.2