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ChemicalBook--->CAS DataBase List--->58011-68-0

58011-68-0

58011-68-0 Structure

58011-68-0 Structure
IdentificationMore
[Name]

PYRAZOLATE
[CAS]

58011-68-0
[Synonyms]

PYRAZOLATE
PYRAZOLINATE
PYRAZOLYNATE
SANBIRD
(2,4-dichlorophenyl)(1,3-dimethyl-5-(((4-methylphenyl)sulfonyl)oxy)-1h-pyrazol-4-yl)-methanon
(2,4-dichlorophenyl)(1,3-dimethyl-5-(((4-methylphenyl)sulfonyl)oxy)-methanon
1h-pyrazol-4-yl)-
4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1h-pyrazol-4-op-toluenesulfonate
4-(2,4-dichlorobenzoyl)-1,3-dimethyl-5-pyrazolylp-toluenesulfonate
sw-751
pyrazolate (jmaf)
pyrazolynate (bsi, draft e-iso)
PYRAZOLATE STANDARD
4-(2,4-dichlorobenzoyl)-1,3-diemthyl-5-phrazolyl-p-toluenesulfonate
A 544
H 468T
p-Toluenesulfonic acid 4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl
p-Toluenesulfonic acid 4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl ester
p-Toluenesulfonic acid=4-(2,4-dichlorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl ester
4-(2,4-DICHLOROBENZOYL)-1,3-DIMETHYL-5-PYRAZOLYL4-TOLUENESULFONATE
[Molecular Formula]

C19H16Cl2N2O4S
[MDL Number]

MFCD00274603
[Molecular Weight]

439.31
[MOL File]

58011-68-0.mol
Chemical PropertiesBack Directory
[Melting point ]

118~122℃
[Boiling point ]

610.7±55.0 °C(Predicted)
[density ]

1.2815 (rough estimate)
[refractive index ]

1.6000 (estimate)
[storage temp. ]

0-6°C
[pka]

-1.53±0.10(Predicted)
[CAS DataBase Reference]

58011-68-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

20
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Potassium carbonate-->tert-Butanol-->Chlorobenzene-->Tosyl chloride-->Alkali Metals, plasma standard solution, Specpure, Ba,Be,Ca,Cs,K,Li,Mg,Na,Rb,Sr, 100μg/ml-->AMBERSEP 900, OH FORM ION-EXCHANGE RESIN-->2,4-Dichlorobenzoyl chloride-->5-pyrrazolone-->1-PHENYLHEXANE-->Pyrazolate-->1,3-Dimethylpyrazole
Hazard InformationBack Directory
[Uses]

Pyrazolynate is a 4-benzoyl pyrazole molecule used for the selective control of annual and some perennial grass and broadleaf weeds in paddy rice in the Far East (as Sanbird) (20).
[Definition]

ChEBI: Pyrazolynate is a member of the class of pyrazoles that is 1,3-dimethylpyrazole which is substituted at positions 4 and 5 by 2,4-dichlorobenzoyl and p-tosyloxy groups, respectively. It is an obsolete proherbicide (via hydrolysis of the tosylate group to afford the corresponding 5-hydroxypyrazole), that was used to control weeds in rice paddy fields. It has a role as a proherbicide, an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor, an agrochemical and a carotenoid biosynthesis inhibitor. It is a member of pyrazoles, a tosylate ester, an aromatic ketone and a dichlorobenzene.
[Metabolic pathway]

Hydrolysis of pyrazolate (DTP) in buffer solutions and in artificial gastric and intestinal fluids proceeds predominantly through base- and acid-catalyzed processes in the regions above pH 7 and below pH 3, respectively, whereas both processes occur between pH 3 and pH 7. The hydrolysis products are p- toluenesulfonic acid and 4-(2,4-dichlorobenzoyl)-1,3- dimethyl-5-hydroxypyrazole. The metabolism study of DTP in fish, rats, plant, soils, and soil microorganisms shows that the metabolites in these systems are mostly derived from the herbicidal entity of pyrazolate resulting from N-demethylation and hydroxylation followed by further oxidation of the methyl group of the pyrazole ring and the cleavage of the carbonyl linkage (see Nakagawa et al.).
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