Anthraquinone-2,3-dicarboxylic Acid

• CAS: 27485-15-0
• Catalog Number: ACM-MO-27485150
• Category: Other Products; Dicarboxylic Acid Monomers
• Molecular Weight: 296.23 g/mol
• Molecular Formula: C16H8O6
• IUPAC Name: 9,10-dioxoanthracene-2,3-dicarboxylic acid
• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)C(=O)O)C(=O)O
• InChI: InChI=1S/C16H8O6/c17-13-7-3-1-2-4-8(7)14(18)10-6-12(16(21)22)11(15(19)20)5-9(10)13/h1-6H,(H,19,20)(H,21,22)
• InChI Key: PSHVQIKBLXBIQJ-UHFFFAOYSA-N
• Boiling Point: 627.0±55.0 °C(Predicted)
• Melting Point: 342 °C
• Density: 1.608±0.06 g/cm3(Predicted)
• Appearance: White to Light Yellow to Green Powder to Crystal
• Storage: Store under inert gas
• Complexity: 491
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• Exact Mass: 296.032088g/mol
• 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: 22
• MDL Number: MFCD00053309
• Monoisotopic Mass: 296.032088g/mol
• 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.
• Rotatable Bond Count: 2
• Signal Word: Warning
• XLogP3: 1.9