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Details

Stereochemistry ACHIRAL
Molecular Formula C8H6O4
Molecular Weight 166.1308
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOPHTHALIC ACID

SMILES

OC(=O)C1=CC(=CC=C1)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 166.1308
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Isolation and identification of new vasodilative substances in diesel exhaust particles.
2010-03
Phosphodiester substrates for incorporation of nucleotides in DNA using HIV-1 reverse transcriptase.
2009-09-04
New heterometallic carboxylate frameworks: synthesis, structure, robustness, flexibility, and porosity.
2009-08-17
Combinatorial library of primaryalkylammonium dicarboxylate gelators: a supramolecular synthon approach.
2009-08-04
Design, synthesis, and biological activity of isophthalic acid derivatives targeted to the C1 domain of protein kinase C.
2009-07-09
Effect of aromatic-aromatic interactions on the conformational stabilities of macrocycle and preorganized structure during macrocyclization.
2009-04-03
Determining organic impurities in mother liquors from oxidative terephthalic acid synthesis by microemulsion electrokinetic chromatography.
2009-03-20
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.
2009-03-14
Isoreticular metal-organic polyhedral networks based on 5-connecting paddlewheel motifs.
2009-03-02
Discovery of potent beta-secretase (bace-1) inhibitors by the synthesis of isophthalamide-containing hybrids.
2009-02
Sample stacking for determination of aromatic acid impurities by microemulsion electrokinetic chromatography.
2009-01-19
Design of protonated polyazamacrocycles based on phenanthroline motifs for selective uptake of aromatic carboxylate anions and herbicides.
2009
Molecular design and preparation of bis-isophthalate electrochromic systems having controllable color and bistability.
2008-12-04
Carbon source-dependent modulation of NADP-glutamate dehydrogenases in isophthalate-degrading Pseudomonas aeruginosa strain PP4, Pseudomonas strain PPD and Acinetobacter lwoffii strain ISP4.
2008-11
Adhesion forces between Staphylococcus epidermidis and surfaces bearing self-assembled monolayers in the presence of model proteins.
2008-11
Detailed structural elucidation of polyesters and acrylates using Fourier transform mass spectrometry.
2008-10
Topology analysis and nonlinear-optical-active properties of luminescent metal-organic framework materials based on zinc/lead isophthalates.
2008-09-15
One-dimensional copper(II) coordination polymers bridged both by mu-trans-oxamidates and phenyldicarboxylates: Synthesis, crystal structure and DNA binding studies.
2008-09
Safety of polyethylene terephthalate food containers evaluated by HPLC, migration test, and estimated daily intake.
2008-08
Cyclophane capsule motifs with side pockets.
2008-07-03
A novel cobalt(II) coordination polymer with an unusual four-connected 4(2).6(3).8 topology.
2008-07
Efficient near-UV photosensitization of the Tb(III) green luminescence by use of 2-hydroxyisophthalate ligands.
2008-06-28
Syntheses, structures and luminescent properties of zinc(II) and cadmium(II) coordination complexes based on new bis(imidazolyl)ether and different carboxylate ligands.
2008-06-21
Organically templated metal-organic framework with 2-fold interpenetrated {3(3).5(9).6(3)}-lcy net.
2008-06-14
A designed metal-organic framework based on a metal-organic polyhedron.
2008-05-28
Zinc(II) tetraarylporphyrins anchored to TiO2, ZnO, and ZrO2 nanoparticle films through rigid-rod linkers.
2008-05-20
Syntheses, structures and properties of cadmium benzenedicarboxylate metal-organic frameworks.
2008-05-14
Thiourea-based molecular clips for fluorescent discrimination of isomeric dicarboxylates.
2007-11-07
Tuning the molecular properties of polybenzimidazole by copolymerization.
2007-10-25
Synthesis, structure and optical properties of rare-earth benzene carboxylates.
2007-09-28
Effect of pH on the viscosity of titanium dioxide aqueous dispersions with carboxylic acids.
2007-08-23
Organic-acid effect on the structures of a series of lead(II) complexes.
2007-08-06
Hydrothermal syntheses, crystal structures and magnetic properties of two copper(II) complexes involved in situ ligand synthesis.
2007-07-28
Complete degradation of dimethyl isophthalate requires the biochemical cooperation between Klebsiella oxytoca Sc and Methylobacterium mesophilicum Sr Isolated from Wetland sediment.
2007-07-15
UPLC-MS as a powerful technique for screening the nonvolatile contaminants in recycled PET.
2007-07
A Small synthetic molecule forms chloride channels to mediate chloride transport across cell membranes.
2007-06-13
Competitive inhibition of glutamate dehydrogenase reaction.
2007-06-12
Molecular tectonics of mixed-ligand metal-organic frameworks: positional isomeric effect, metal-directed assembly, and structural diversification.
2007-05-14
Adsorption and self-assembly of aromatic carboxylic acids on Au/electrolyte interfaces.
2007-05
Substituent effects on aromatic stacking interactions.
2007-04-07
Photoactive barbiturate receptors: an ultimate lock-and-key system in which the key unlocks the lock.
2007-03-15
Calculated optoelectronic properties of ruthenium tris-bipyridine dyes containing oligophenyleneethynylene rigid rod linkers in different chemical environments.
2007-03-01
Conformational control of transmembrane Cl(-) transport.
2007-02-21
Structure, formation, and dynamics of Mo(12) and Mo(16) oxothiomolybdenum rings containing terephtalate derivatives.
2007
Efficient charge injection from the S2 photoexcited state of special-pair mimic porphyrin assemblies anchored on a titanium-modified ITO anode.
2006-10-25
Macrocyclic inhibitors of beta-secretase: functional activity in an animal model.
2006-10-19
Hydrolytic stability of terephthaloyl chloride and isophthaloyl chloride.
2006-10-15
Derivatives of 7-amino-1,2,3,4-tetrahydroisoquinoline and isophthalic acids as novel fibrinogen receptor antagonists.
2006-10-15
Pyrene-terminated phenylenethynylene rigid linkers anchored to metal oxide nanoparticles.
2006-08-17
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
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:05:49 GMT 2025
Edited
by admin
on Mon Mar 31 20:05:49 GMT 2025
Record UNII
X35216H9FJ
Record Status Validated (UNII)
Record Version
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Name Type Language
ISOPHTHALIC ACID
HSDB   MI  
Systematic Name English
NSC-15310
Preferred 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
ISOTEREPHTHALIC ACID
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 Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
Food Contact Sustance Notif, (FCN No.) FCN NO, 4
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
Code System Code Type Description
NSC
15310
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
HSDB
2090
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
MERCK INDEX
m6513
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY Merck Index
WIKIPEDIA
ISOPHTHALIC ACID
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
CHEBI
30802
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
ECHA (EC/EINECS)
204-506-4
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
FDA UNII
X35216H9FJ
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
CAS
121-91-5
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
CHEBI
30803
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
PUBCHEM
8496
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
EPA CompTox
DTXSID3021485
Created by admin on Mon Mar 31 20:05:49 GMT 2025 , Edited by admin on Mon Mar 31 20:05:49 GMT 2025
PRIMARY
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