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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9O.H4N
Molecular Weight 187.2377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM O-PHENYLPHENOLATE

SMILES

[NH4+].[O-]C1=CC=CC=C1C2=CC=CC=C2

InChI

InChIKey=WTPWCIBYJWGZHI-UHFFFAOYSA-N
InChI=1S/C12H10O.H3N/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;1H3

HIDE SMILES / InChI

Molecular Formula H3N
Molecular Weight 17.0305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H10O
Molecular Weight 170.2072
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: http://apps.who.int/iris/bitstream/10665/42388/1/WHO_TRS_901.pdf; https://www.ncbi.nlm.nih.gov/pubmed/7753434

AMMONIUM O-PHENYLPHENOLATE (also known as Ortho-phenylphenol, ammonium salt) is a toxic agent, which is used as a pesticide.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Biodesulfurization of dibenzothiophene and its derivatives through the selective cleavage of carbon-sulfur bonds by a moderately thermophilic bacterium Bacillus subtilis WU-S2B.
2001
Biodesulfurization of dibenzothiophene with Rhodococcus erythropolis ATCC 53968 and its mutant in an interface bioreactor.
2002
Analysis of dibenzothiophene metabolic pathway in Mycobacterium strain G3.
2002
Analyses of substrate specificity of the desulfurizing bacterium Mycobacterium sp. G3.
2002
Complexation of several fungicides with beta-cyclodextrin: determination of the association constants and isolation of the solid complexes.
2003 Aug 13
Solid-phase microextraction liquid chromatography/tandem mass spectrometry to determine postharvest fungicides in fruits.
2003 Jul 15
[Studies on estrogenic activities of food additives with human breast cancer MCF-7 cells and mechanism of estrogenicity by BHA and OPP].
2003 Jun
Epigenetic toxicity of hydroxylated biphenyls and hydroxylated polychlorinated biphenyls on normal rat liver epithelial cells.
2003 Jun 15
Deep desulfurization of hydrodesulfurization-treated diesel oil by a facultative thermophilic bacterium Mycobacterium sp. X7B.
2003 Jun 27
Design of chiral monochloro-s-triazine reagents for the liquid chromatographic separation of amino acid enantiomers.
2003 May 23
Measurement of pesticides and other toxicants in amniotic fluid as a potential biomarker of prenatal exposure: a validation study.
2003 Nov
Extraction of o-phenylphenol from silicone tubing by a sulfobutylether cyclodextrin formulation.
2003 Nov 28
Phthalates, alkylphenols, pesticides, polybrominated diphenyl ethers, and other endocrine-disrupting compounds in indoor air and dust.
2003 Oct 15
Photohydration and photosolvolysis of biphenyl alkenes and alcohols via biphenyl quinone methide-type intermediates and diarylmethyl carbocations.
2003 Oct 22
Comparative analysis of antibiotic and antimicrobial biocide susceptibility data in clinical isolates of methicillin-sensitive Staphylococcus aureus, methicillin-resistant Staphylococcus aureus and Pseudomonas aeruginosa between 1989 and 2000.
2004
[Inhibitory effect of zinc on beta-hexosaminidase release from RBL-2H3 cells by synthetic chemicals].
2004 Apr
Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells.
2004 Apr
2-Biphenylol revisited.
2004 Apr
Determination of ortho-phenylphenol residues in lemon rind by high-performance liquid chromatography with electrochemical detection using a microbore column.
2004 Jan
Synthesis, spectroscopic characterization and redox reactivity of some transition metal complexes with salicylaldimines bearing 2,6-di-phenylphenol.
2004 Jan
Liquid chromatographic aqueous product characterization of high-energy electron beam irradiated 2-chlorobiphenyl solutions.
2004 Jan
Continuous-flow separation and pre-concentration coupled on-line to solid-surface fluorescence spectroscopy for the simultaneous determination of o-phenylphenol and thiabendazole.
2004 Jan
Cloning of a gene encoding flavin reductase coupling with dibenzothiophene monooxygenase through coexpression screening using indigo production as selective indication.
2004 Jan 16
Rapid simultaneous determination of o-phenylphenol, diphenyl, thiabendazole, imazalil and its major metabolite in citrus fruits by liquid chromatography-mass spectrometry using atmospheric pressure photoionization.
2004 Jan 2
2-Hydroxypropyl-beta-cyclodextrin extracts 2-phenylphenol from silicone tubing.
2004 Jul 8
Determination of fungicide residues in fruits by coupled-column liquid chromatography.
2004 Jun
Determination of carbendazim, thiabendazole, and o-phenylphenol residues in lemons by HPLC following sample clean-up by ion-pairing.
2004 Jun
Adam-Gibbs model for the supercooled dynamics in the ortho-terphenyl ortho-phenylphenol mixture.
2004 Jun 8
Optimization by experimental design and artificial neural networks of the ion-interaction reversed-phase liquid chromatographic separation of twenty cosmetic preservatives.
2004 Mar 12
Design of new promoters and of a dual-bioreporter based on cross-activation by the two regulatory proteins XylR and HbpR.
2004 Nov
Identification and functional analysis of the genes encoding dibenzothiophene-desulfurizing enzymes from thermophilic bacteria.
2004 Nov
Crystallization and preliminary X-ray analyses of desulfurization enzyme DszB and its C27S mutant complexed with biphenyl-2-sulfinic acid.
2004 Sep
Continuous flow immunosensor for highly selective and real-time detection of sub-ppb levels of 2-hydroxybiphenyl by using surface plasmon resonance imaging.
2004 Sep 15
Desulphurization of dibenzothiophene and diesel oils by bacteria.
2005
Characterization of HbpR binding by site-directed mutagenesis of its DNA-binding site and by deletion of the effector domain.
2005 Apr
[The innate ability of Rhodococcus sp. SDUZAWQ to tolerate sulfur in petroleum].
2005 Aug
Acute respiratory distress syndrome and lung fibrosis after ingestion of a high dose of ortho-phenylphenol.
2005 Aug
Automated on-line column-switching HPLC-MS/MS method with peak focusing for the determination of nine environmental phenols in urine.
2005 Aug 15
Ecotoxicological evaluation of the biocidal agents sodium o-phenylphenol, sodium o-benzyl-p-chlorophenol, and sodium p-tertiary amylphenol.
2005 Feb
Gene cloning and characterization of Mycobacterium phlei flavin reductase involved in dibenzothiophene desulfurization.
2005 Jun
Analysis of genotoxicity and the carcinogenic mode of action for ortho-phenylphenol.
2005 Jun
Biodesulfurization of dibenzothiophene and other organic sulfur compounds by a newly isolated Microbacterium strain ZD-M2.
2005 Jun 1
Quantification of phenolic metabolites of environmental chemicals in human urine using gas chromatography-tandem mass spectrometry and isotope dilution quantification.
2005 Jun 25
Synergistic effect of the combination triclosan with 2-phenylphenol against Pseudomonas aeruginosa and fungi.
2005 May
Substituent effects on the oxidation of substituted biphenyl congeners by type II methanotroph strain CSC1.
2005 May
Solid-phase extraction and purification for the quantification of polycyclic aromatic hydrocarbon metabolites in fish bile.
2005 Nov
Lessons learned for the assessment of children's pesticide exposure: critical sampling and analytical issues for future studies.
2005 Oct
Cross-contamination of the PSP sensor in a preclinical setting.
2005 Summer
Photogeneration and chemistry of biphenyl quinone methides from hydroxybiphenyl methanols.
2006 Jan-Feb
Characterization of Gordonia sp. strain F.5.25.8 capable of dibenzothiophene desulfurization and carbazole utilization.
2006 Jul
Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
In vitro carried out to study the inhibitory effect of mixtures of sodium orthophenylphenate, methyl-1-(butyl-carbamoyl)-2-benzimidazole ('Benomyl') and sodium orthophenylphenate, 2-(4-thiazolil)-benzimidazole ('Thiabendazole') on growth of strains of Penicillium italicum and P. digitatum resistant to sodium orthophenylphenate, 'Benomyl' and 'Thiabendazole'. A synergistic effect of the mixtures 10 ppm of sodium orthophenylphenate and 10 ppm of the benzimidazolic compound in most cases resulted in complete growth inhibition.
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:04:16 GMT 2023
Edited
by admin
on Sat Dec 16 10:04:16 GMT 2023
Record UNII
0816G78TY1
Record Status Validated (UNII)
Record Version
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Name Type Language
AMMONIUM O-PHENYLPHENOLATE
Common Name English
AMMONIUM 2-PHENYLPHENATE
Common Name English
O-PHENYLPHENOL AMMONIUM SALT
Common Name English
(1,1'-BIPHENYL)-2-OL, AMMONIUM SALT
Systematic Name English
Code System Code Type Description
CAS
52704-98-0
Created by admin on Sat Dec 16 10:04:16 GMT 2023 , Edited by admin on Sat Dec 16 10:04:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID40895139
Created by admin on Sat Dec 16 10:04:16 GMT 2023 , Edited by admin on Sat Dec 16 10:04:16 GMT 2023
PRIMARY
PUBCHEM
65421
Created by admin on Sat Dec 16 10:04:16 GMT 2023 , Edited by admin on Sat Dec 16 10:04:16 GMT 2023
PRIMARY
FDA UNII
0816G78TY1
Created by admin on Sat Dec 16 10:04:16 GMT 2023 , Edited by admin on Sat Dec 16 10:04:16 GMT 2023
PRIMARY