Home Other Building Blocks Isophthalic acid

Isophthalic acid

CAS No.:
121-91-5
Catalog Number:
AG003521
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
99%(HPLC)
In Stock USA
United States
$110
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Product Description
Catalog Number:
AG003521
Chemical Name:
Isophthalic acid
CAS Number:
121-91-5
Molecular Formula:
C8H6O4
Molecular Weight:
166.1308
MDL Number:
MFCD00002516
IUPAC Name:
benzene-1,3-dicarboxylic acid
InChI:
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChI Key:
QQVIHTHCMHWDBS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C(=O)O
EC Number:
204-506-4
UNII:
X35216H9FJ
NSC Number:
15310
RTECS Number:
NT2007000
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.027g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
166.132g/mol
Monoisotopic Mass:
166.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
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4-[5-(4-Pyrid-yl)-1,3,4-oxadiazol-2-yl]pyridine N-oxide-isophthalic acid (1/1). Acta crystallographica. Section E, Structure reports online 20080601
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Poly[[μ(4)-naphthalene-1,4-dicarboxyl-ato-κO:O':O'':O'''-μ(2)-naphthalene-1,4-dicarboxyl-ato-κO,O':O'',O'''-bis-(2-phenyl-1H-1,3,7,8-tetra-azacyclopenta-[l]phenanthrene-κN,N)dimanganese(II)] N,N-dimethyl-formamide solvate]. Acta crystallographica. Section E, Structure reports online 20080501
Poly[di-μ(5)-adipato-κO:O':O'':O''',O'''-μ(4)-adipato-κO:O':O'':O'''-bis-[2-phenyl-1H-1,3,7,8-tetra-azacyclo-penta-[l]phenanthrene-κN,N]tricobalt(II)]. Acta crystallographica. Section E, Structure reports online 20080501
Poly[μ(2)-benzene-1,3-dicarboxyl-ato-κO:O'-μ(2)-1,3-di-4-pyridylpropane-κN:N'-zinc(II)]. Acta crystallographica. Section E, Structure reports online 20080201
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
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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
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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
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