Catalog Number
ACM605709-2
Product Name
1,4-Naphthalenedicarboxylic Acid
Category
Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
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)
Appearance
Light yellow to Yellow to Orange powder to crystal
Application
1,4-Naphthalenedicarboxylic acid, a versatile white solid, serves as a crucial raw material and intermediate in various industrial and commercial applications. Its significance spans across organic synthesis, pharmaceuticals, agrochemicals, and the production of dyestuffs. This compound is integral to the manufacture of dyes, optical brighteners, and high-adhesion coatings, and is extensively used in the plastics industry. It plays a vital role as an intermediate in producing high-performance polyester fibers and insulation materials, and is a key monomer in the creation of polyethylene naphthalate (PEN), liquid crystal polymers, and polyurethane resins. Additionally, 1,4-naphthalenedicarboxylic acid finds important applications in the pharmaceutical sector.
Storage
Store under inert gas
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
216.04225873g/mol
Hazard Statements
H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
Monoisotopic Mass
216.04225873g/mol
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.
Topological Polar Surface Area
74.6Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
