Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C7H5ClO2 |
| Molecular Weight | 156.566 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=C(Cl)C=C1
InChI
InChIKey=XRHGYUZYPHTUJZ-UHFFFAOYSA-N
InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
| Molecular Formula | C7H5ClO2 |
| Molecular Weight | 156.566 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
p-Chlorobenzoic acid is a major metabolite of analgesic agent zomepirac sodium in rat (present as conjugates) and mouse and a minor one in monkey and man. It is a metabolite of antidepressant Lofepramine hydrochloride, and anxiolytic and a muscle relaxant Chlormezanone too. Sodium salt of p-Chlorobenzoic acid is used as a preservative. p-Chlorobenzoic acid may prove useful clinically to prevent and reverse the accumulation of toxic levels of acyl- and arylCoA esters. If the hepatic damage in Reye’s Syndrome is due to the dead-end formation of the CoA esters of acyl- and aryl-CoA esters, then p-chlorobenzoic acid may block their formation, thereby relieving the inhibitions of gluconeogenesis and urea synthesis and preventing some of the damage to the liver.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Comparison of selenium distribution in mice organs after the supplementation with inorganic and organic selenium compound selenosemicarbazide. | 2002 |
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| Novel insights into the interplay between peripheral reactions encoded by xyl genes and the chlorocatechol pathway encoded by tfd genes for the degradation of chlorobenzoates by Ralstonia eutropha JMP134. | 2002 Nov |
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| Use of both 16S rRNA and engineered functional genes with real-time PCR to quantify an engineered, PCB-degrading Rhodococcus in soil. | 2002 Oct |
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| Effects of an inorganic and two new organic compounds of selenium on morphologic blood elements and antioxidant status in mice. | 2003 |
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| The strength of dehalogenase-substrate hydrogen bonding correlates with the rate of Meisenheimer intermediate formation. | 2003 Aug 12 |
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| [A new aerobic gram-positive bacterium with a unique ability to degrade ortho- and para-chlorinated biphenyls]. | 2003 Nov-Dec |
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| Mechanistic implications of the effect of TiO2 accessibility in TiO2-SiO2 coatings upon chlorinated organics photocatalytic removal in water. | 2004 |
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| Bis(micro-4-chlorobenzoato-kappa(2)O:O)bis[(2-aminopyridine-kappaN)silver(I)]. | 2004 Apr |
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| The purification and characterisation of 4-chlorobenzoate:CoA ligase and 4-chlorobenzoyl CoA dehalogenase from Arthrobacter sp. strain TM-1. | 2004 Apr |
|
| A QM/MM study of a nucleophilic aromatic substitution reaction catalyzed by 4-chlorobenzoyl-CoA dehalogenase. | 2004 Apr 7 |
|
| The Hotdog fold: wrapping up a superfamily of thioesterases and dehydratases. | 2004 Aug 12 |
|
| Functional establishment of introduced chlorobenzoate degraders following bioaugmentation with newly activated soil. Enhanced contaminant remediation via activated soil bioaugmentation. | 2004 Feb |
|
| Linear correlation between inactivation of E. coli and OH radical concentration in TiO2 photocatalytic disinfection. | 2004 Feb |
|
| Biodegradation of DDT by a Pseudomonas species. | 2004 Jan |
|
| Effect of Fenton-like oxidation on enhanced oxidative degradation of para-chlorobenzoic acid by ultrasonic irradiation. | 2004 Jul |
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| Chlorobenzoate-degrading bacteria in similar pristine soils exhibit different community structures and population dynamics in response to anthropogenic 2-, 3-, and 4-chlorobenzoate levels. | 2004 Jul |
|
| Crystal structure of 4-chlorobenzoate:CoA ligase/synthetase in the unliganded and aryl substrate-bound states. | 2004 Jul 13 |
|
| Kinetic decomposition of ozone and para-chlorobenzoic acid (pCBA) during catalytic ozonation. | 2004 May |
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| Photocatalysis of p-chlorobenzoic acid in aqueous solution under irradiation of 254 nm and 185 nm UV light. | 2004 Nov |
|
| Development and validation of HPLC method for determination of indomethacin and its two degradation products in topical gel. | 2005 Apr 29 |
|
| Analysis of the C-terminal domain of Burkholderia sp. strain LB400 BphK reveals a conserved motif that affects catalytic activity. | 2005 Aug 1 |
|
| Pathways and metabolites of microbial degradation of selected acidic pharmaceutical and their occurrence in municipal wastewater treated by a membrane bioreactor. | 2005 Jul |
|
| Optical activity induced by helical arrangements of tryptamine and 4-chlorobenzoic acid in their cocrystal. | 2005 Mar 2 |
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| Advanced oxidation effect of ozonation combined with electrolysis. | 2005 Nov |
|
| The chemometric resolution and quantification of overlapped peaks form comprehensive two-dimensional liquid chromatography. | 2005 Nov 25 |
|
| Screening of organic halogens and identification of chlorinated benzoic acids in carbonaceous meteorites. | 2005 Sep |
|
| Effect of long-term exposure, biogenic substrate presence, and electron acceptor conditions on the biodegradation of multiple substituted benzoates and phenolates. | 2005 Sep |
|
| Efficiency of activated carbon to transform ozone into *OH radicals: influence of operational parameters. | 2005 Sep |
|
| Different net effect of TiO2 sintering temperature on the photocatalytic removal rates of 4-chlorophenol, 4-chlorobenzoic acid and dichloroacetic acid in water. | 2006 |
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| Antiplasmodial and antitrypanosomal activity of new esters and ethers of 4-dialkylaminobicyclo[2.2.2]octan-2-ols. | 2006 Aug |
|
| Comparison of the efficiency of *OH radical formation during ozonation and the advanced oxidation processes O3/H2O2 and UV/H2O2. | 2006 Dec |
|
| Cometabolic degradation of polychlorinated biphenyls at low temperature by psychrotolerant bacterium Hydrogenophaga sp. IA3-A. | 2006 Jul |
|
| Mechanism and pathways of chlorfenapyr photocatalytic degradation in aqueous suspension of TiO2. | 2006 May 15 |
|
| Isomorphous crystals of strychninium 4-chlorobenzoate and strychninium 4-nitrobenzoate. | 2006 Sep |
|
| Metabolism of 4,4'-dichlorobiphenyl by white-rot fungi Phanerochaete chrysosporium and Phanerochaete sp. MZ142. | 2006 Sep |
|
| 2,2-Dimethyl-5-nitroso-1,3-dioxan-5-yl benzoate, 2,2-dimethyl-5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate and 5-nitroso-1,3-dioxan-5-yl 4-chlorobenzoate. | 2007 Jun |
|
| Analysis of p-chlorobenzoic acid in water by liquid chromatography-tandem mass spectrometry. | 2007 Sep 14 |
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| Oxidation of p-chlorotoluene and cyclohexene catalysed by polymer-anchored oxovanadium(IV) and copper(II) complexes of amino acid derived tridentate ligands. | 2008 Aug 28 |
|
| Structural characterization of a 140 degrees domain movement in the two-step reaction catalyzed by 4-chlorobenzoate:CoA ligase. | 2008 Aug 5 |
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| Structure and denaturation of 4-chlorobenzoyl coenzyme A dehalogenase from Arthrobacter sp. strain TM-1. | 2008 Feb |
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| Diaqua-bis(4-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II). | 2008 Feb 29 |
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| FT-IR, FT-Raman spectra and ab initio HF, DFT vibrational analysis of p-chlorobenzoic acid. | 2008 Mar |
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| The effect of electrode material on the generation of oxidants and microbial inactivation in the electrochemical disinfection processes. | 2009 Mar |
|
| Synthesis of alpha-amyrin derivatives and their in vivo antihyperglycemic activity. | 2009 Mar |
|
| Application of preparative capillary gas chromatography (pcGC), automated structure generation and mutagenicity prediction to improve effect-directed analysis of genotoxicants in a contaminated groundwater. | 2010 May |
|
| Photoreactivity of carboxylated single-walled carbon nanotubes in sunlight: reactive oxygen species production in water. | 2010 Sep 1 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:42:31 GMT 2025
by
admin
on
Mon Mar 31 18:42:31 GMT 2025
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| Record UNII |
IC7888DF4L
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| Record Status |
Validated (UNII)
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| Record Version |
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30747
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DB03728
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4-Chlorobenzoic acid
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6019
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C040768
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m3396
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DTXSID9024772
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200-805-9
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