U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C7H5IO2
Molecular Weight 248.0179
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-IODOBENZOIC ACID

SMILES

OC(=O)C1=CC=CC=C1I

InChI

InChIKey=CJNZAXGUTKBIHP-UHFFFAOYSA-N
InChI=1S/C7H5IO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C7H5IO2
Molecular Weight 248.0179
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Expression of 2-halobenzoate dioxygenase genes (cbdSABC) involved in the degradation of benzoate and 2-halobenzoate in Burkholderia sp. TH2.
2001 Jan 10
Iodine-containing cellulose mixed esters as radiopaque polymers for direct embolization of cerebral aneurysms and arteriovenous malformations.
2002 Jan
[Selective metalation and solid phase organometallic chemistry].
2002 Nov
Cyclization of oxa-bicyclic alkenes with beta-iodo-(Z)-propenoates and o-iodobenzoate catalyzed by nickel complexes: a simple efficient route to annulated coumarins.
2003 Dec 11
Exploration of ionic liquids as soluble supports for organic synthesis. Demonstration with a Suzuki coupling reaction.
2003 Dec 25
In vitro selectivity, in vivo biodistribution and tumour uptake of annexin V radiolabelled with a positron emitting radioisotope.
2003 Oct 6
Photocatalytic dehalogenation coupled on-line to a reversed micellar-mediated chemiluminescence detection system: application to the determination of iodinated aromatic compounds.
2003 Sep 1
Large-scale homogeneous molecular templates for femtosecond time-resolved studies of the guest-host interaction.
2004 Aug 26
Synthesis of phthalide derivatives using nickel-catalyzed cyclization of o-haloesters with aldehydes.
2004 Jun 21
In situ generation of o-iodoxybenzoic acid (IBX) and the catalytic use of it in oxidation reactions in the presence of Oxone as a co-oxidant.
2005 Jul 7
Synthesis of isocoumarins via Pd/C-mediated reactions of o-iodobenzoic acid with terminal alkynes.
2005 Jun 10
High-performance liquid chromatography-diode array detection assay for the detection and quantification of the Beauveria metabolite oosporein from potato tubers.
2005 Oct 28
An unexpected ion-molecule adduct in negative-ion collision-induced decomposition ion-trap mass spectra of halogenated benzoic acids.
2006
Palladium-catalyzed coupling of allenylphosphonates, phenylallenes, and allenyl esters: remarkable salt effect and routes to novel benzofurans and isocoumarins.
2006 Nov 24
Highly efficient cyclization of o-iodobenzoates with aldehydes catalyzed by cobalt bidentate phosphine complexes: a novel entry to chiral phthalides.
2007
Inhibition of spinach chloroplast F0F1 by an Fe2+/ascorbate/H2O2 system.
2007 Oct-Nov
One-pot multicomponent synthesis of indoles from 2-iodobenzoic acid.
2008
Cu2+ ions as a paramagnetic probe to study the surface chemical modification process of layered double hydroxides and hydroxide salts with nitrate and carboxylate anions.
2008 Apr 1
The differential influence of non-iodinated and mono- or diiodinated benzoic acids on cellular and nuclear uptake of the nuclear localization sequence of the SV 40 T antigen.
2008 May 1
Capillary HPLC-ICPMS and tyrosine iodination for the absolute quantification of peptides using generic standards.
2009 Jul 1
Solution-phase synthesis of a diverse isocoumarin library.
2009 Nov-Dec
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:22:26 GMT 2023
Edited
by admin
on Fri Dec 15 15:22:26 GMT 2023
Record UNII
7Q00V80J7Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-IODOBENZOIC ACID
MI  
Systematic Name English
O-IODOBENZOIC ACID [MI]
Common Name English
NSC-3772
Code English
Code System Code Type Description
FDA UNII
7Q00V80J7Q
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY
CHEBI
287979
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY
WIKIPEDIA
2-Iodobenzoic acid
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY
NSC
3772
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY
MERCK INDEX
m6344
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID6058976
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY
PUBCHEM
6941
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-850-7
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY
CAS
88-67-5
Created by admin on Fri Dec 15 15:22:27 GMT 2023 , Edited by admin on Fri Dec 15 15:22:27 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY