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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O4
Molecular Weight 166.1312
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPHTHALIC ACID

SMILES

c1cc(cc(c1)C(=O)O)C(=O)O

InChI

InChIKey=QQVIHTHCMHWDBS-UHFFFAOYSA-N
InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula C8H6O4
Molecular Weight 166.1312
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
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).
2006
Pyrene-terminated phenylenethynylene rigid linkers anchored to metal oxide nanoparticles.
2006 Aug 17
Hydrolytic stability of terephthaloyl chloride and isophthaloyl chloride.
2006 Oct 15
Derivatives of 7-amino-1,2,3,4-tetrahydroisoquinoline and isophthalic acids as novel fibrinogen receptor antagonists.
2006 Oct 15
Macrocyclic inhibitors of beta-secretase: functional activity in an animal model.
2006 Oct 19
Efficient charge injection from the S2 photoexcited state of special-pair mimic porphyrin assemblies anchored on a titanium-modified ITO anode.
2006 Oct 25
Structure, formation, and dynamics of Mo(12) and Mo(16) oxothiomolybdenum rings containing terephtalate derivatives.
2007
Substituent effects on aromatic stacking interactions.
2007 Apr 7
Effect of pH on the viscosity of titanium dioxide aqueous dispersions with carboxylic acids.
2007 Aug 23
Organic-acid effect on the structures of a series of lead(II) complexes.
2007 Aug 6
Conformational control of transmembrane Cl(-) transport.
2007 Feb 21
UPLC-MS as a powerful technique for screening the nonvolatile contaminants in recycled PET.
2007 Jul
Complete degradation of dimethyl isophthalate requires the biochemical cooperation between Klebsiella oxytoca Sc and Methylobacterium mesophilicum Sr Isolated from Wetland sediment.
2007 Jul 15
Hydrothermal syntheses, crystal structures and magnetic properties of two copper(II) complexes involved in situ ligand synthesis.
2007 Jul 28
Competitive inhibition of glutamate dehydrogenase reaction.
2007 Jun 12
A Small synthetic molecule forms chloride channels to mediate chloride transport across cell membranes.
2007 Jun 13
Calculated optoelectronic properties of ruthenium tris-bipyridine dyes containing oligophenyleneethynylene rigid rod linkers in different chemical environments.
2007 Mar 1
Photoactive barbiturate receptors: an ultimate lock-and-key system in which the key unlocks the lock.
2007 Mar 15
Adsorption and self-assembly of aromatic carboxylic acids on Au/electrolyte interfaces.
2007 May
Molecular tectonics of mixed-ligand metal-organic frameworks: positional isomeric effect, metal-directed assembly, and structural diversification.
2007 May 14
Thiourea-based molecular clips for fluorescent discrimination of isomeric dicarboxylates.
2007 Nov 7
Tuning the molecular properties of polybenzimidazole by copolymerization.
2007 Oct 25
Synthesis, structure and optical properties of rare-earth benzene carboxylates.
2007 Sep 28
Safety of polyethylene terephthalate food containers evaluated by HPLC, migration test, and estimated daily intake.
2008 Aug
Molecular design and preparation of bis-isophthalate electrochromic systems having controllable color and bistability.
2008 Dec 4
A novel cobalt(II) coordination polymer with an unusual four-connected 4(2).6(3).8 topology.
2008 Jul
Cyclophane capsule motifs with side pockets.
2008 Jul 3
Organically templated metal-organic framework with 2-fold interpenetrated {3(3).5(9).6(3)}-lcy net.
2008 Jun 14
Syntheses, structures and luminescent properties of zinc(II) and cadmium(II) coordination complexes based on new bis(imidazolyl)ether and different carboxylate ligands.
2008 Jun 21
Efficient near-UV photosensitization of the Tb(III) green luminescence by use of 2-hydroxyisophthalate ligands.
2008 Jun 28
Syntheses, structures and properties of cadmium benzenedicarboxylate metal-organic frameworks.
2008 May 14
Zinc(II) tetraarylporphyrins anchored to TiO2, ZnO, and ZrO2 nanoparticle films through rigid-rod linkers.
2008 May 20
A designed metal-organic framework based on a metal-organic polyhedron.
2008 May 28
Carbon source-dependent modulation of NADP-glutamate dehydrogenases in isophthalate-degrading Pseudomonas aeruginosa strain PP4, Pseudomonas strain PPD and Acinetobacter lwoffii strain ISP4.
2008 Nov
Adhesion forces between Staphylococcus epidermidis and surfaces bearing self-assembled monolayers in the presence of model proteins.
2008 Nov
Detailed structural elucidation of polyesters and acrylates using Fourier transform mass spectrometry.
2008 Oct
One-dimensional copper(II) coordination polymers bridged both by mu-trans-oxamidates and phenyldicarboxylates: Synthesis, crystal structure and DNA binding studies.
2008 Sep
Topology analysis and nonlinear-optical-active properties of luminescent metal-organic framework materials based on zinc/lead isophthalates.
2008 Sep 15
Design of protonated polyazamacrocycles based on phenanthroline motifs for selective uptake of aromatic carboxylate anions and herbicides.
2009
Effect of aromatic-aromatic interactions on the conformational stabilities of macrocycle and preorganized structure during macrocyclization.
2009 Apr 3
New heterometallic carboxylate frameworks: synthesis, structure, robustness, flexibility, and porosity.
2009 Aug 17
Combinatorial library of primaryalkylammonium dicarboxylate gelators: a supramolecular synthon approach.
2009 Aug 4
Discovery of potent beta-secretase (bace-1) inhibitors by the synthesis of isophthalamide-containing hybrids.
2009 Feb
Sample stacking for determination of aromatic acid impurities by microemulsion electrokinetic chromatography.
2009 Jan 19
Design, synthesis, and biological activity of isophthalic acid derivatives targeted to the C1 domain of protein kinase C.
2009 Jul 9
Crystal structures and solid-state CPMAS 13C NMR correlations in luminescent zinc(II) and cadmium(II) mixed-ligand coordination polymers constructed from 1,2-bis(1,2,4-triazol-4-yl)ethane and benzenedicarboxylate.
2009 Mar 14
Isoreticular metal-organic polyhedral networks based on 5-connecting paddlewheel motifs.
2009 Mar 2
Determining organic impurities in mother liquors from oxidative terephthalic acid synthesis by microemulsion electrokinetic chromatography.
2009 Mar 20
Phosphodiester substrates for incorporation of nucleotides in DNA using HIV-1 reverse transcriptase.
2009 Sep 4
Isolation and identification of new vasodilative substances in diesel exhaust particles.
2010 Mar
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 04:46:06 UTC 2021
Edited
by admin
on Sat Jun 26 04:46:06 UTC 2021
Record UNII
X35216H9FJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPHTHALIC ACID
HSDB   MI  
Systematic Name English
M-CARBOXYBENZOIC ACID
Systematic Name English
BENZENE-1,3-DICARBOXYLIC ACID
Systematic Name English
ISOPHTHALIC ACID [HSDB]
Common Name English
M-PHTHALIC ACID
Common Name English
3-CARBOXYBENZOIC ACID
Systematic Name English
NSC-15310
Code English
ISOTEREPHTHALIC ACID
Common Name English
ISOPHTHALIC ACID [INCI]
Common Name English
ISOPHTHALATE
Systematic Name English
M-BENZENEDICARBOXYLIC ACID
Common Name English
1,3-BENZENEDICARBOXYLIC ACID
Systematic Name English
M-DICARBOXYBENZENE
Systematic Name English
ISOPHTHALIC ACID [MI]
Common Name English
Classification Tree Code System Code
Food Contact Sustance Notif, (FCN No.) FCN NO. 211
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
Food Contact Sustance Notif, (FCN No.) FCN NO, 4
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
Code System Code Type Description
HSDB
2090
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
PRIMARY
MERCK INDEX
M6513
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
PRIMARY Merck Index
WIKIPEDIA
ISOPHTHALIC ACID
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
PRIMARY
ECHA (EC/EINECS)
204-506-4
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
PRIMARY
FDA UNII
X35216H9FJ
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
PRIMARY
CAS
121-91-5
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
PRIMARY
PUBCHEM
8496
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
PRIMARY
EPA CompTox
121-91-5
Created by admin on Sat Jun 26 04:46:06 UTC 2021 , Edited by admin on Sat Jun 26 04:46:06 UTC 2021
PRIMARY
Related Record Type Details
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