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

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=C(C=CC=C1)C2=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 C12H10O
Molecular Weight 170.2072
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

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
Characterization of Gordonia sp. strain F.5.25.8 capable of dibenzothiophene desulfurization and carbazole utilization.
2006-07
Solid-phase extraction and purification for the quantification of polycyclic aromatic hydrocarbon metabolites in fish bile.
2005-11
Lessons learned for the assessment of children's pesticide exposure: critical sampling and analytical issues for future studies.
2005-10
Automated on-line column-switching HPLC-MS/MS method with peak focusing for the determination of nine environmental phenols in urine.
2005-08-15
[The innate ability of Rhodococcus sp. SDUZAWQ to tolerate sulfur in petroleum].
2005-08
Acute respiratory distress syndrome and lung fibrosis after ingestion of a high dose of ortho-phenylphenol.
2005-08
Quantification of phenolic metabolites of environmental chemicals in human urine using gas chromatography-tandem mass spectrometry and isotope dilution quantification.
2005-06-25
Photogeneration and chemistry of biphenyl quinone methides from hydroxybiphenyl methanols.
2005-06-07
Biodesulfurization of dibenzothiophene and other organic sulfur compounds by a newly isolated Microbacterium strain ZD-M2.
2005-06-01
Gene cloning and characterization of Mycobacterium phlei flavin reductase involved in dibenzothiophene desulfurization.
2005-06
Analysis of genotoxicity and the carcinogenic mode of action for ortho-phenylphenol.
2005-06
Synergistic effect of the combination triclosan with 2-phenylphenol against Pseudomonas aeruginosa and fungi.
2005-05
Substituent effects on the oxidation of substituted biphenyl congeners by type II methanotroph strain CSC1.
2005-05
Characterization of HbpR binding by site-directed mutagenesis of its DNA-binding site and by deletion of the effector domain.
2005-04
Ecotoxicological evaluation of the biocidal agents sodium o-phenylphenol, sodium o-benzyl-p-chlorophenol, and sodium p-tertiary amylphenol.
2005-02
Cross-contamination of the PSP sensor in a preclinical setting.
2005
Desulphurization of dibenzothiophene and diesel oils by bacteria.
2005
Design of new promoters and of a dual-bioreporter based on cross-activation by the two regulatory proteins XylR and HbpR.
2004-11
Identification and functional analysis of the genes encoding dibenzothiophene-desulfurizing enzymes from thermophilic bacteria.
2004-11
Continuous flow immunosensor for highly selective and real-time detection of sub-ppb levels of 2-hydroxybiphenyl by using surface plasmon resonance imaging.
2004-09-15
Crystallization and preliminary X-ray analyses of desulfurization enzyme DszB and its C27S mutant complexed with biphenyl-2-sulfinic acid.
2004-09
2-Hydroxypropyl-beta-cyclodextrin extracts 2-phenylphenol from silicone tubing.
2004-07-08
Adam-Gibbs model for the supercooled dynamics in the ortho-terphenyl ortho-phenylphenol mixture.
2004-06-08
Determination of fungicide residues in fruits by coupled-column liquid chromatography.
2004-06
Determination of carbendazim, thiabendazole, and o-phenylphenol residues in lemons by HPLC following sample clean-up by ion-pairing.
2004-06
[Inhibitory effect of zinc on beta-hexosaminidase release from RBL-2H3 cells by synthetic chemicals].
2004-04
Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells.
2004-04
2-Biphenylol revisited.
2004-04
Optimization by experimental design and artificial neural networks of the ion-interaction reversed-phase liquid chromatographic separation of twenty cosmetic preservatives.
2004-03-12
Cloning of a gene encoding flavin reductase coupling with dibenzothiophene monooxygenase through coexpression screening using indigo production as selective indication.
2004-01-16
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.
2004-01-02
Determination of ortho-phenylphenol residues in lemon rind by high-performance liquid chromatography with electrochemical detection using a microbore column.
2004-01
Synthesis, spectroscopic characterization and redox reactivity of some transition metal complexes with salicylaldimines bearing 2,6-di-phenylphenol.
2004-01
Liquid chromatographic aqueous product characterization of high-energy electron beam irradiated 2-chlorobiphenyl solutions.
2004-01
Continuous-flow separation and pre-concentration coupled on-line to solid-surface fluorescence spectroscopy for the simultaneous determination of o-phenylphenol and thiabendazole.
2004-01
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
Extraction of o-phenylphenol from silicone tubing by a sulfobutylether cyclodextrin formulation.
2003-11-28
Measurement of pesticides and other toxicants in amniotic fluid as a potential biomarker of prenatal exposure: a validation study.
2003-11
Photohydration and photosolvolysis of biphenyl alkenes and alcohols via biphenyl quinone methide-type intermediates and diarylmethyl carbocations.
2003-10-22
Phthalates, alkylphenols, pesticides, polybrominated diphenyl ethers, and other endocrine-disrupting compounds in indoor air and dust.
2003-10-15
Complexation of several fungicides with beta-cyclodextrin: determination of the association constants and isolation of the solid complexes.
2003-08-13
Solid-phase microextraction liquid chromatography/tandem mass spectrometry to determine postharvest fungicides in fruits.
2003-07-15
Deep desulfurization of hydrodesulfurization-treated diesel oil by a facultative thermophilic bacterium Mycobacterium sp. X7B.
2003-06-27
Epigenetic toxicity of hydroxylated biphenyls and hydroxylated polychlorinated biphenyls on normal rat liver epithelial cells.
2003-06-15
[Studies on estrogenic activities of food additives with human breast cancer MCF-7 cells and mechanism of estrogenicity by BHA and OPP].
2003-06
Design of chiral monochloro-s-triazine reagents for the liquid chromatographic separation of amino acid enantiomers.
2003-05-23
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
Biodesulfurization of dibenzothiophene and its derivatives through the selective cleavage of carbon-sulfur bonds by a moderately thermophilic bacterium Bacillus subtilis WU-S2B.
2001
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 Mon Mar 31 23:00:12 GMT 2025
Edited
by admin
on Mon Mar 31 23:00:12 GMT 2025
Record UNII
0816G78TY1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM 2-PHENYLPHENATE
Preferred Name English
AMMONIUM O-PHENYLPHENOLATE
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 Mon Mar 31 23:00:12 GMT 2025 , Edited by admin on Mon Mar 31 23:00:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID40895139
Created by admin on Mon Mar 31 23:00:12 GMT 2025 , Edited by admin on Mon Mar 31 23:00:12 GMT 2025
PRIMARY
PUBCHEM
65421
Created by admin on Mon Mar 31 23:00:12 GMT 2025 , Edited by admin on Mon Mar 31 23:00:12 GMT 2025
PRIMARY
FDA UNII
0816G78TY1
Created by admin on Mon Mar 31 23:00:12 GMT 2025 , Edited by admin on Mon Mar 31 23:00:12 GMT 2025
PRIMARY