1,4-Naphthalenedicarboxylic Acid

• CAS: 605-70-9
• Catalog Number: ACM-MO-605709
• Category: Polymer/Macromolecule; Dicarboxylic Acid Monomers
• Molecular Weight: 216.19 g/mol
• Molecular Formula: C12H8O4
• Synonyms: NAPHTHALENE-1,4-DICARBOXYLIC ACID;1,4-NAPHTHALENEDICARBOXYLIC ACID;1,4-NAPHTHALIC ACID;1,4-NAPHTHALENEDICARBOXYLIC ACID 95+%;Naphthalene-1,4-dicarboxylicacid,98+%;Naphthalin-1,4-dicarbonsure;1,4-naphthalate;4-Naphthalenedicarboxylic acid
• IUPAC Name: naphthalene-1,4-dicarboxylic acid
• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2C(=O)O)C(=O)O
• InChI: InChI=1S/C12H8O4/c13-11(14)9-5-6-10(12(15)16)8-4-2-1-3-7(8)9/h1-6H,(H,13,14)(H,15,16)
• InChI Key: ABMFBCRYHDZLRD-UHFFFAOYSA-N
• Boiling Point: 490.2±28.0 °C(Predicted)
• Melting Point: 320 °C
• Density: 1.54 g/cm3
• Appearance: White to Yellow to Orange Powder to Crystal
• Storage: Store under inert gas
• Complexity: 269
• CompoundIs Canonicalized: Yes
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 210-094-7
• Exact Mass: 216.04225873g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Isotope Atom Count: 0
• MDL Number: MFCD00014312
• Monoisotopic Mass: 216.04225873g/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
• Topological Polar Surface Area: 74.6Ų
• Undefined Atom Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• XLogP3: 2.6