2,3-Pyrazinedicarboxylic Acid

• Catalog Number: ACM-MO-89010
• Product Name: 2,3-Pyrazinedicarboxylic Acid
• CAS: 89-01-0
• Category: Heterocyclic Organic Compound
• Synonyms: 3-Pyrazinedicarboxylic acid
• IUPAC Name: Pyrazine-2,3-dicarboxylic acid
• Molecular Weight: 168.11 g/mol
• Molecular Formula: C6H4N2O4
• Canonical SMILES: C1=CN=C(C(=N1)C(=O)O)C(=O)O
• InChI: InChI=1S/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)
• InChI Key: ZUCRGHABDDWQPY-UHFFFAOYSA-N
• Boiling Point: 297.01 °C
• Melting Point: 228 °C
• Density: 1.6328 g/mL at 25 °C(lit.)
• Appearance: White to Almost White Powder to Crystal
• Storage: Store under inert gas
• Complexity: 184
• Condition To Avoid: Air Sensitive, Hygroscopic
• Covalently-Bonded Unit Count: 1
• EC Number: 201-875-3
• Exact Mass: 168.01710661
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 6
• H-Bond Donor: 2
• Heavy Atom Count: 12
• MDL Number: MFCD00006131
• Monoisotopic Mass: 168.01710661
• NSC Number: 1908
• 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: n20/D 1.4738(lit.)
• Rotatable Bond Count: 2
• Signal Word: Warning
• SpecificGravity: 1.16
• Storage Conditions: Dry place,Room Temperature
• Topological Polar Surface Area: 100 Ų
• UNII: QNN35WOF29
• XLogP3: -0.7