2,5-Dihydroxyterephthalic Acid

Product Information

Molecular Formula:
C8H6O6
Molecular Weight:
198.13
Description
2,5-dihydroxyterephthalic acid (DHTA)is prepared by bromine/sulphuric acid mediated aromatization of diethyl succinoylsucinate, followed by hydrolysis.
Synonyms
2,5-dihydroxyterephthalic acid; 2,5-dihydroxyterephthalic acid
IUPAC Name
2,5-dihydroxyterephthalic acid
Canonical SMILES
C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
InChI
InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChI Key
OYFRNYNHAZOYNF-UHFFFAOYSA-N
Boiling Point
498.9 ℃ at 760 mmHg
Melting Point
>300 ℃ (lit.)
Purity
> 98.0 % (T) (HPLC)
Density
1.779 g/cm3
Appearance
Light yellow to yellow to green powder to crystal
Storage
Store under inert gas
LogP
0.49420

Safety Information

Hazards
H315 - H319 - H335
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
1.4
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Exact Mass
198.01643791 g/mol
Monoisotopic Mass
198.01643791 g/mol
Topological Polar Surface Area
115Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
224
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-11046901-B1 Naphthenic acid corrosion inhibitors for a refinery 2020-06-15
WO-2021118292-A2 Composition for wound healing, containing metal-organic framework 2019-12-13
WO-2021111976-A1 Method for producing polymer 2019-12-04
WO-2021111977-A1 Composition for forming resist underlayer film 2019-12-04
WO-2021066742-A1 Polycrystalline metal-organic framework membranes for separation of mixtures 2019-09-30
WO-2021057813-A1 Sulfimide photo-acid generator, photosensitive resin composition, patterning method, use of photosensitive resin composition 2019-09-25
WO-2021041049-A1 Separation of 1-butene from 2-butene using framework open metal sites 2019-09-01
US-2021053903-A1 Applying hansen solubility parameters to metal-organic framework synthesis conditions 2019-08-23
US-2021036234-A1 White light emitting material, preparation method thereof, and application thereof 2019-07-31
WO-2021007987-A1 Mofs/mips catalyst, in situ growth preparation method for same, and applications thereof 2019-07-15

Literatures

PMID Publication Date Title Journal
22903310 2012-10-14 Carbon dioxide adsorption by physisorption and chemisorption interactions in piperazine-grafted Ni2(dobdc) (dobdc = 1,4-dioxido-2,5-benzenedicarboxylate) Dalton transactions (Cambridge, England : 2003)
22892796 2012-10-07 Diversity of lanthanide(III)-2,5-dihydroxy-1,4-benzenedicarboxylate extended frameworks: syntheses, structures, and magnetic properties Dalton transactions (Cambridge, England : 2003)
22988809 2012-10-01 Luminescent microporous metal-organic framework with functional lewis basic sites on the pore surface: specific sensing and removal of metal ions Inorganic chemistry
22908934 2012-09-05 CO2 dynamics in a metal-organic framework with open metal sites Journal of the American Chemical Society
22371265 2012-04-14 Hydrogen adsorption in the metal-organic frameworks Fe2(dobdc) and Fe2(O2)(dobdc) Dalton transactions (Cambridge, England : 2003)
22461607 2012-03-30 Hydrocarbon separations in a metal-organic framework with open iron(II) coordination sites Science (New York, N.Y.)
22143973 2012-01-02 A metal-organic framework with highly polar pore surfaces: selective CO2 adsorption and guest-dependent on/off emission properties Chemistry (Weinheim an der Bergstrasse, Germany)
22074154 2011-12-21 Metal-specific interactions of H2 adsorbed within isostructural metal-organic frameworks Journal of the American Chemical Society
21830751 2011-09-21 Selective binding of O2 over N2 in a redox-active metal-organic framework with open iron(II) coordination sites Journal of the American Chemical Society
21877685 2011-09-21 A solid lithium electrolyte via addition of lithium isopropoxide to a metal-organic framework with open metal sites Journal of the American Chemical Society
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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