2,6-Naphthalenedicarboxylic acid

Product Information

Molecular Formula:
C12H8O4
Molecular Weight:
216.19
Description
Naphthalenedicarboxylic acid (H2ndc) can be used in the formation of metal-organic coordination polymers (MOCPs) for potential applications in various fields such as adsorption, separation, and magnetism. It can also be used as a monomer in the production of polyesters. H2ndc can also be used in the synthesis of a metal-organic framework (MOF), which can further be used as a drug carrier.
Synonyms
naphthalene-2,6-dicarboxylic acid
IUPAC Name
naphthalene-2,6-dicarboxylic acid
Canonical SMILES
C1=CC2=C(C=CC(=C2)C(=O)O)C=C1C(=O)O
InChI
InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16)
InChI Key
RXOHFPCZGPKIRD-UHFFFAOYSA-N
Melting Point
> 300 ℃
Flash Point
Not applicable
Purity
95 %
Density
1.5 g/cm3
Appearance
Beige powder
Storage
Store under inert gas, 2-8 ℃
LogP
2.23620

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning

Computed Properties

XLogP3
2.8
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
US-10934384-B1 Polyurethane elastomer compositions, and processes thereof 2020-09-09
US-10934385-B1 Polyurethane elastomers, bio-additive foam compositions 2020-09-09
US-2021187884-A1 Liquid crystal polymer film and laminate comprising the same 2019-12-23
US-2021189059-A1 Laminate, circuit board, and liquid crystal polymer film applied to the same 2019-12-23
US-2021189075-A1 Liquid crystal polymer film and laminate comprising the same 2019-12-23
US-2021189118-A1 Liquid crystal polymer film and laminate comprising the same 2019-12-23
US-2021189242-A1 Liquid crystal polymer film and laminate comprising the same 2019-12-23
WO-2021123655-A1 Method for manufacturing a polyester containing at least one 1,4:3,6-dianhydrohexitol unit with reduced colouring and improved rates of incorporation of the unit(s) 2019-12-20
WO-2021124908-A1 Resin composition for aqueous ink 2019-12-20
WO-2021125236-A1 Biaxially oriented polyester film and method for producing same 2019-12-20

Literatures

PMID Publication Date Title Journal
22930156 2012-10-11 Non-interpenetrated IRMOF-8: synthesis, activation, and gas sorption Chemical communications (Cambridge, England)
22717946 2012-09-21 Coordination polymers containing rotaxane linkers Chemical Society reviews
22897859 2012-09-21 Size-exclusion chromatography of poly(ethylene 2,6-naphthalate) Journal of chromatography. A
22615161 2012-06-18 Neutral and anionic guests and their effect on the formation of pseudorotaxanes by using a flexible tetracationic imidazolium macrocycle Chemistry (Weinheim an der Bergstrasse, Germany)
22273680 2012-01-24 Geometry analysis and systematic synthesis of highly porous isoreticular frameworks with a unique topology Nature communications
22148730 2012-01-02 Selective CO2 adsorption in a robust and water-stable porous coordination polymer with new network topology Inorganic chemistry
22168395 2012-01-02 Water-free neodymium 2,6-naphthalenedicarboxylates coordination complexes and their application as catalysts for isoprene polymerization Inorganic chemistry
21539397 2011-06-08 High-pressure in situ 129Xe NMR spectroscopy and computer simulations of breathing transitions in the metal-organic framework Ni2(2,6-ndc)2(dabco) (DUT-8(Ni)) Journal of the American Chemical Society
21394353 2011-04-28 The first porous MOF with photoswitchable linker molecules Dalton transactions (Cambridge, England : 2003)
21103564 2011-03-14 Microporous sensor: gas sorption, guest exchange and guest-dependant luminescence of metal-organic framework Dalton transactions (Cambridge, England : 2003)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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