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
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 |
