CHLOROTHALONIL-4-HYDROXY

Product Information

Molecular Formula:
C8HCl3N2O
Molecular Weight:
247.46534
Synonyms
4-hydroxy-2,5,6-trichloro-1,3-benzenedicarbonitrile; 4-hydroxy-2,5,6-trichloro-3-benzenedicarbonitrile; 4-hydroxy-2,5,6-trichloroisophthalonitrile
IUPAC Name
2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile
Canonical SMILES
C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O
InChI
InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H
InChI Key
MDQKYGOECVSPIW-UHFFFAOYSA-N
Boiling Point
355°C at 760mmHg
Purity
95%
Density
1.75g/cm3

Computed Properties

XLogP3
2.5
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
245.915446
Monoisotopic Mass
245.915446
Topological Polar Surface Area
67.8
Heavy Atom Count
14
Formal Charge
0
Complexity
317
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113109471-A A rapid and simultaneous detection of chlorothalonil and its metabolites in vegetables and fruits by LCMSMS 2021-04-12
CN-113109471-B A rapid and simultaneous detection of chlorothalonil and its metabolites in vegetables and fruits by LCMSMS 2021-04-12
WO-2022069948-A1 High temperature benzoxazine resins, methods, and uses thereof 2020-09-30
JP-2021532818-A Methods and Compositions for Stimulating Chimeric Antigen Receptor T Cells with Hapten-labeled Cells 2018-08-06
JP-H107615-A Method for producing 3,6-dichloro-2-hydroxybenzoic acid and intermediate for producing the same 1996-06-19
EP-0657737-A2 Method and reagents for binding chemical analytes to a substrate surface, and related analytical devices and diagnostic techniques 1993-12-13
EP-0657737-A3 Methods and reagents for binding chemical analytes to a substrate surface, and related analytical devices and diagnostic methods. 1993-12-13
JP-H07209166-A Analyte binding method to substrate surface, low molecular weight analyte quantification method, and biotin-analyte complex 1993-12-13
US-5527711-A Method and reagents for binding chemical analytes to a substrate surface, and related analytical devices and diagnostic techniques 1993-12-13
US-5654178-A Immunoassay for tetrachloroisophthalonitrile (chlorothalonil), its derivatives and breakdown products 1993-03-29

Literatures

PMID Publication Date Title Journal
33246813 2021-05-15 Effects of chlorothalonil, prochloraz and the combination on intestinal barrier function and glucolipid metabolism in the liver of mice Journal of hazardous materials
33186708 2020-12-01 Resveratrol relieves chlorothalonil-induced apoptosis and necroptosis through miR-15a/Bcl2-A20 axis in fish kidney cells Fish & shellfish immunology
32289622 2020-07-15 Potential toxic effects of 4-OH-chlorothalonil and photodegradation product on human skin health Journal of hazardous materials
31813703 2020-01-01 Frequently encountered pesticides can cause multiple disorders in developing worker honey bees Environmental pollution (Barking, Essex : 1987)
30586609 2019-03-15 Chlorothalonil inhibits mouse ovarian development through endocrine disruption Toxicology letters
27541960 2016-11-01 The identification of the metabolites of chlorothalonil in zebrafish (Danio rerio) and their embryo toxicity and endocrine effects at environmentally relevant levels Environmental pollution (Barking, Essex : 1987)
27264782 2016-09-01 Hepatic gene expression profiling in zebrafish (Danio rerio) exposed to the fungicide chlorothalonil Comparative biochemistry and physiology. Part D, Genomics & proteomics
23866729 2013-10-01 Effects of chlorothalonil on development and growth of amphibian embryos and larvae Environmental pollution (Barking, Essex : 1987)
22743627 2012-10-01 Effects of seven antifouling compounds on photosynthesis and inorganic carbon use in sugar kelp Saccharina latissima (Linnaeus) Archives of environmental contamination and toxicology
22564453 2012-09-01 Occurrence of boscalid and other selected fungicides in surface water and groundwater in three targeted use areas in the United States Chemosphere
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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