121-91-5 | Isophthalic acid

Packsize	Purity	Availability	Price	Discounted Price
100g	95%	in stock	$8.00	$5.00
250g	95%	in stock	$10.00	$7.00
500g	95%	in stock	$13.00	$9.00
1000g	95%	in stock	$19.00	$13.00

Description

• Catalog Number: AB46321
• Chemical Name: Isophthalic acid
• CAS Number: 121-91-5
• Molecular Formula: C8H6O4
• Molecular Weight: 166.1308
• MDL Number: MFCD00002516
• SMILES: OC(=O)c1cccc(c1)C(=O)O
• NSC Number: 15310

Computed Properties

• Complexity: 179
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 1.7

Upstream Synthesis Route

Isophthalic Acid, also known as 1,3-benzenedicarboxylic acid, is a versatile compound widely used in chemical synthesis. It serves as a key building block in the production of various polymers, resins, and fibers due to its unique chemical properties.In chemical synthesis, Isophthalic Acid is commonly employed in the manufacture of polyethylene terephthalate (PET) resins, which are essential components in the production of plastic bottles, polyester fibers, and packaging materials. By reacting with ethylene glycol, Isophthalic Acid forms a polymer chain that exhibits excellent strength, durability, and resistance to heat and chemicals.Additionally, Isophthalic Acid is utilized in the synthesis of high-performance engineering plastics, such as liquid crystal polymers (LCPs) and polybenzoxazines. These advanced materials find applications in aerospace, automotive, and electronics industries due to their exceptional thermal stability, flame retardancy, and mechanical properties.Moreover, Isophthalic Acid plays a crucial role in the production of corrosion-resistant coatings, adhesives, and specialty chemicals. Its ability to enhance the chemical and weathering resistance of coatings makes it a preferred ingredient in protective coatings for industrial equipment, marine vessels, and architectural structures.Overall, Isophthalic Acid is a fundamental compound in chemical synthesis, enabling the development of a wide range of products that enhance our daily lives and support numerous industries.

Literature

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• A one-dimensional ladder-like coordination polymer: poly[[hexa-aqua-bis(μ-5-nitro-benzene-1,3-dicarboxyl-ato-κO,O',O'')(μ-oxalato-κO,O':O'',O''')diyttrium(III)] trihydrate].

  Acta crystallographica. Section E, Structure reports online 20080101

• N,N-Bis(2,2-dimethyl-propano-yl)benzene-1,3-dicarbohydrazide.

  Acta crystallographica. Section E, Structure reports online 20080101

• Delineation of an in vivo inhibitor for Aspergillus glutamate dehydrogenase.

  Enzyme and microbial technology 20080101

• Thiourea-based molecular clips for fluorescent discrimination of isomeric dicarboxylates.

  Organic & biomolecular chemistry 20071107

• Tuning the molecular properties of polybenzimidazole by copolymerization.

  The journal of physical chemistry. B 20071025

• Synthesis, structure and optical properties of rare-earth benzene carboxylates.

  Dalton transactions (Cambridge, England : 2003) 20070928

• Effect of pH on the viscosity of titanium dioxide aqueous dispersions with carboxylic acids.

  The journal of physical chemistry. A 20070823

• Organic-acid effect on the structures of a series of lead(II) complexes.

  Inorganic chemistry 20070806

• Hydrothermal syntheses, crystal structures and magnetic properties of two copper(II) complexes involved in situ ligand synthesis.

  Dalton transactions (Cambridge, England : 2003) 20070728

• Complete degradation of dimethyl isophthalate requires the biochemical cooperation between Klebsiella oxytoca Sc and Methylobacterium mesophilicum Sr Isolated from Wetland sediment.

  The Science of the total environment 20070715

• UPLC-MS as a powerful technique for screening the nonvolatile contaminants in recycled PET.

  Analytical and bioanalytical chemistry 20070701

• A Small synthetic molecule forms chloride channels to mediate chloride transport across cell membranes.

  Journal of the American Chemical Society 20070613

• Competitive inhibition of glutamate dehydrogenase reaction.

  FEBS letters 20070612

• Molecular tectonics of mixed-ligand metal-organic frameworks: positional isomeric effect, metal-directed assembly, and structural diversification.

  Inorganic chemistry 20070514

• Adsorption and self-assembly of aromatic carboxylic acids on Au/electrolyte interfaces.

  Analytical and bioanalytical chemistry 20070501

• Substituent effects on aromatic stacking interactions.

  Organic & biomolecular chemistry 20070407

• Photoactive barbiturate receptors: an ultimate lock-and-key system in which the key unlocks the lock.

  Organic letters 20070315

• Calculated optoelectronic properties of ruthenium tris-bipyridine dyes containing oligophenyleneethynylene rigid rod linkers in different chemical environments.

  The journal of physical chemistry. A 20070301

• Conformational control of transmembrane Cl(-) transport.

  Journal of the American Chemical Society 20070221

• Structure, formation, and dynamics of Mo(12) and Mo(16) oxothiomolybdenum rings containing terephtalate derivatives.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20070101

• Efficient charge injection from the S2 photoexcited state of special-pair mimic porphyrin assemblies anchored on a titanium-modified ITO anode.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20061025

• Macrocyclic inhibitors of beta-secretase: functional activity in an animal model.

  Journal of medicinal chemistry 20061019

• Derivatives of 7-amino-1,2,3,4-tetrahydroisoquinoline and isophthalic acids as novel fibrinogen receptor antagonists.

  Bioorganic & medicinal chemistry letters 20061015

• Hydrolytic stability of terephthaloyl chloride and isophthaloyl chloride.

  Environmental science & technology 20061015

• Anion binding versus intramolecular hydrogen bonding in neutral macrocyclic amides.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20061010

• Biodegradation of phthalate isomers by Pseudomonas aeruginosa PP4, Pseudomonas sp. PPD and Acinetobacter lwoffii ISP4.

  Applied microbiology and biotechnology 20061001

• Induction of apoptosis by intracellular potassium ion depletion: using the fluorescent dye PBFI in a 96-well plate method in cultured lung cancer cells.

  Toxicology in vitro : an international journal published in association with BIBRA 20060901

• Pyrene-terminated phenylenethynylene rigid linkers anchored to metal oxide nanoparticles.

  The journal of physical chemistry. B 20060817

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

• Binding studies of molecular linkers to ZnO and MgZnO nanotip films.

  The journal of physical chemistry. B 20060406

• Pelotomaculum terephthalicum sp. nov. and Pelotomaculum isophthalicum sp. nov.: two anaerobic bacteria that degrade phthalate isomers in syntrophic association with hydrogenotrophic methanogens.

  Archives of microbiology 20060401

• Direct effects of aldosterone on cardiomyocytes in the presence of normal and elevated extracellular sodium.

  Endocrinology 20060301

• Binding kinetics and duration of in vivo action of novel prolyl oligopeptidase inhibitors.

  Biochemical pharmacology 20060227

• Conformationally biased P3 amide replacements of beta-secretase inhibitors.

  Bioorganic & medicinal chemistry letters 20060201

• Design and evaluation of 16S rRNA sequence based oligonucleotide probes for the detection and quantification of Comamonas testosteroni in mixed microbial communities.

  BMC microbiology 20060101

• Degradation of phthalic acids and benzoic acid from terephthalic acid wastewater by advanced oxidation processes.

  Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering 20060101

• Synthesis, Superoxide Dismutase Mimetic and Anticancer Activities of Metal Complexes of 2,2-Dimethylpentanedioic Acid(2dmepdaH(2)) and 3,3-Dimethylpentanedioic acid(3dmepdaH(2)): X-Ray Crystal Structures of [Cu(3dmepda)(bipy)](2). 6H(2)O and [Cu(2dmepda)(bipy)(EtOH)](2). 4EtOH (bipy = 2,2'Bipyridine).

  Bioinorganic chemistry and applications 20060101

• Carboxylate anions binding and sensing by a novel tetraazamacrocycle containing ferrocene as receptor.

  Dalton transactions (Cambridge, England : 2003) 20051021

• Hydrogen bonding and pi-pi interactions in a laminar structure: benzene-1,3-dicarboxylic acid-4-methylpyridine (1/2).

  Acta crystallographica. Section C, Crystal structure communications 20051001

• A soybean seed protein with carboxylate-binding activity.

  Journal of experimental botany 20050901

• Capillary electrophoresis determinative and GC-MS confirmatory method for water-soluble organic acids in airborne particulate matter and vehicle emission.

  Journal of separation science 20050801

• Losing the expression of molecular chirality in self-assembled physisorbed monolayers.

  Nano letters 20050701

• Metal-organic frameworks based on trigonal prismatic building blocks and the new 'acs' topology.

  Inorganic chemistry 20050502

• Allosteric NADP-glutamate dehydrogenase from aspergilli: purification, characterization and implications for metabolic regulation at the carbon-nitrogen interface.

  Microbiology (Reading, England) 20050501

• Isophthalato-based 2D coordination polymers of Eu(III), Gd(III), and Tb(III): enhancement of the terbium-centered luminescence through thiophene derivatization.

  Inorganic chemistry 20050418

• Uptake of sodium in quince, sugar beet, and wheat protoplasts determined by the fluorescent sodium-binding dye benzofuran isophthalate.

  Journal of plant physiology 20050401

• DABCO-directed self-assembly of bisporphyrins (DABCO=1,4-diazabicyclo[2.2.2]octane).

  Chemistry (Weinheim an der Bergstrasse, Germany) 20050318

• Tandem mass spectrometry characteristics of polyester anions and cations formed by electrospray ionization.

  European journal of mass spectrometry (Chichester, England) 20050101

• Biochemical pathway and degradation of phthalate ester isomers by bacteria.

  Water science and technology : a journal of the International Association on Water Pollution Research 20050101

• Time gating improves sensitivity in energy transfer assays with terbium chelate/dark quencher oligonucleotide probes.

  Journal of the American Chemical Society 20041222

• Poly[[bis(pyridine-kappaN)copper(II)]-mu(3)-5-hydroxyisophthalato-kappa3O:O':O''].

  Acta crystallographica. Section C, Crystal structure communications 20041201

• Effects of carboxyl groups on the adsorption behavior of low-molecular-weight substances on a stainless steel surface.

  Journal of colloid and interface science 20041115

• Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor.

  Organic & biomolecular chemistry 20041021

• Synthesis, structure and luminescent properties of yttrium benzene dicarboxylates with one- and three-dimensional structure.

  Dalton transactions (Cambridge, England : 2003) 20040921

• Poly[[[(1,10-phenanthroline-kappa2N,N')zinc(II)]-mu3-5-hydroxyisophthalato-kappa4O,O':O':O''] monohydrate].

  Acta crystallographica. Section C, Crystal structure communications 20040701

• [[Ca5(C8H4O4)5(H2O)9].8H2O]n: the first crystallographically characterized non-transition metal salt of isophthalic acid.

  Acta crystallographica. Section C, Crystal structure communications 20031201

• A porous supramolecular architecture from a copper(II) coordination polymer with a 3D four-connected 8(6) net.

  Inorganic chemistry 20031117

• Phylogenetic analysis of an anaerobic microbial consortium deiodinating 5-amino-2,4,6-triiodoisophthalic acid.

  Applied microbiology and biotechnology 20030901

• Delftia tsuruhatensis sp. nov., a terephthalate-assimilating bacterium isolated from activated sludge.

  International journal of systematic and evolutionary microbiology 20030901

• Involvement of mitochondrial K+ release and cellular efflux in ischemic and apoptotic neuronal death.

  Journal of neurochemistry 20030801

• Self-assembly of dialkyltin(IV) moieties and aromatic dicarboxylates to complexes with a polymeric or a discrete trinuclear macrocyclic structure in the solid state and a mixture of fast interchanging cyclooligomeric structures in solution.

  Inorganic chemistry 20030616

• Solvent extraction of organic molecules of exobiological interest for in situ analysis of the Martian soil.

  Journal of chromatography. A 20030530

• Regulation of Ca2+ signaling by Na+ pump alpha-2 subunit expression.

  Annals of the New York Academy of Sciences 20030401

• 4-aminopyridine decreases progesterone production by porcine granulosa cells.

  Reproductive biology and endocrinology : RB&E 20030101

• [Polyethylene terephthalate (PET)--health aspects and food packaging application].

  Roczniki Panstwowego Zakladu Higieny 20030101

• Protein kinase G activation of K(ATP) channels in human-cultured prostatic stromal cells.

  Cellular signalling 20021201

• Double-stranded helices and molecular zippers assembled from single-stranded coordination polymers directed by supramolecular interactions.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20021018

• Dendronized molecular knots: selective synthesis of various generations, enantiomer separation, circular dichroism.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20021004

• Kagomé lattice: A molecular toolkit for magnetism.

  Nature materials 20021001

• [V(III)(H2O)]3O(O2CC6H4CO2)3.(Cl, 9H2O) (MIL-59): a rare example of vanadocarboxylate with a magnetically frustrated three-dimensional hybrid framework.

  Chemical communications (Cambridge, England) 20020721

• A mixed-valence copper coordination polymer generated by hydrothermal metal/ligand redox reactions.

  Chemical communications (Cambridge, England) 20020707

• Intracellular Na(+) concentration is elevated in heart failure but Na/K pump function is unchanged.

  Circulation 20020528

• [Zn8(SiO4)(C8H4O4)6]n: the firstborn of a metallosilicate-organic hybrid material family (C8H4O4 = isophthalate).

  Chemical communications (Cambridge, England) 20020307

• Efficient intramolecular beta-mannoside formation using m-xylylene and isophthaloyl derivatives as rigid spacers.

  Carbohydrate research 20020211

• Comamonas testosteroni BR6020 possesses a single genetic locus for extradiol cleavage of protocatechuate.

  Microbiology (Reading, England) 20010801

• [Determination of isophthalic acid in polyethylene glycol terephthalate fiber by high performance liquid chromatography].

  Se pu = Chinese journal of chromatography 20010701

• Aqua(benzene-1,3-dicarboxylato)zinc(II).

  Acta crystallographica. Section C, Crystal structure communications 20010601

• Changes in [Na(+)](i), compartmental [Ca(2+)], and NADH with dysfunction after global ischemia in intact hearts.

  American journal of physiology. Heart and circulatory physiology 20010101

• Molecular analysis of isophthalate and terephthalate degradation by Comamonas testosteroni YZW-D.

  Environmental health perspectives 19950601