1,4-Naphthalenedicarboxylic Acid
Product Information
Molecular Formula
C12H8O4
Molecular Weight
216.19
Description
1,4-Naphthalenedicarboxylic Acid (CAS# 605-70-9) is a useful research chemical.
Synonyms
naphthalene-1,4-dicarboxylic acid; naphthalene-1,4-dicarboxylic acid
IUPAC Name
naphthalene-1,4-dicarboxylic acid
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
Purity
> 95.0 % (T)
Density
1.54 g/cm3
Appearance
Light yellow to yellow to orange powder to crystal
Storage
Store under inert gas
LogP
2.23620
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
2.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
216.04225873 g/mol
Monoisotopic Mass
216.04225873 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
269
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114149659-A | Resin composition and use thereof | 2021-12-31 |
| CN-114031757-A | Nano silicon dioxide modified polyester and preparation method and application thereof | 2021-12-16 |
| CN-114014750-A | Method for separating and purifying 1, 4-naphthalenedicarboxylic acid from distillation residue of 1, 4-naphthalenedicarboxylic acid reaction mother liquor | 2021-11-29 |
| CN-114113388-A | Method for detecting related substances in 4-oximinomethyl-1-naphthoic acid | 2021-11-24 |
| CN-114050245-A | Composite cathode material with spring-shaped lamellar structure and preparation method and application thereof | 2021-11-16 |
| CN-114163641-A | Ammonium polybenzimidazole and alkaline ion exchange membrane thereof, and preparation method and application of ionomer | 2021-11-12 |
| JP-2022029460-A | Release film for molding solid polymer fuel cell components | 2021-11-08 |
| CN-113817158-A | Preparation method of high-temperature-resistant nylon resin | 2021-10-26 |
| CN-114044913-A | Metal-organic framework material and preparation method thereof | 2021-10-25 |
| CN-113980255-A | Thick coating pinhole resistant polyester resin and preparation method and application thereof | 2021-10-21 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22832416 | 2012-09-21 | Ionothermal syntheses, crystal structures and properties of three-dimensional rare earth metal-organic frameworks with 1,4-naphthalenedicarboxylic acid | Dalton transactions (Cambridge, England : 2003) |
| 22514027 | 2012-05-01 | Microenvironmental control of enantiodifferentiating photocyclization of 5-hydroxy-1,1-diphenylpentene through selective solvation | Chirality |
| 21754678 | 2011-06-01 | Bis[μ-1,2-bis-(1H-imidazol-1-ylmeth-yl)benzene-κN:N]disilver(I) bis-(4-carb-oxy-naphthalene-1-carboxyl-ate) tetra-hydrate | Acta crystallographica. Section E, Structure reports online |
| 21578583 | 2009-11-07 | Poly[aqua-bis(μ(4)-naphthalene-1,4-di-carboxyl-ato)(1,10-phenanthroline-5,6-dione)dimanganese(II)] | Acta crystallographica. Section E, Structure reports online |
| 19726847 | 2009-09-01 | A novel parallel interpenetrating two-dimensional (4,4) network: poly[[mu2-1,4-bis(imidazol-1-ylmethyl)benzene](mu2-naphthalene-1,4-dicarboxylato)zinc(II)] | Acta crystallographica. Section C, Crystal structure communications |
| 21582743 | 2009-06-27 | Hexakis(1H-imidazole-κN)cobalt(II) triaqua-tris(1H-imidazole-κN)cobalt(II) bis-(naphthalene-1,4-dicarboxyl-ate) | Acta crystallographica. Section E, Structure reports online |
| 21582363 | 2009-03-25 | Poly[(μ-4,4'-bipyridine)(μ-naphthalene-1,4-dicarboxyl-ato)manganese(II)] | Acta crystallographica. Section E, Structure reports online |
| 21581469 | 2008-12-20 | Poly[(μ(6)-naphthalene-1,4-dicarboxyl-ato-κO:O:O:O:O:O)iron(II)] | Acta crystallographica. Section E, Structure reports online |
| 21581486 | 2008-12-20 | Poly[(μ-4,4'-bipyridine)(μ-naph-tha-lene-1,4-dicarboxyl-ato)iron(II)] | Acta crystallographica. Section E, Structure reports online |
| 21581169 | 2008-11-20 | Poly[μ-aqua-[μ-1,1'-(butane-1,4-di-yl)diimidazole]bis-(μ(4)-naphthalene-1,4-dicarboxyl-ato)dicadmium(II)] | Acta crystallographica. Section E, Structure reports online |
