Products 58011-68-0

CAS 58011-68-0 appears in our catalog under these names: Pyrazolate, Pyrazolynate, 4–(2,4–Dichlorobenzoyl)–1,3–dimethyl–1H–pyrazol–5–yl 4–methylbenzenesulfonate, Pyrazolynate, Concentration: 100 µg/ml Solvent: Acetonitrile. Offered by: TRC, Dr. Ehrenstorfer, GLPBio, HPC Standards, MedChemExpress. Available pack sizes: 750mg, 25mg, 1x25mg, 1x5ml, Get quote.

Structural formula: {0} (CAS {1})

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, a carotenoid biosynthesis inhibitor, an agrochemical and an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor. It is a dichlorobenzene, a member of pyrazoles, an aromatic ketone and a tosylate ester.

Source: ChEBI

Identity
Molecular formulaC19H16Cl2N2O4S
Molecular weight439.3 g/mol
IUPAC name[4-(2,4-dichlorobenzoyl)-1,3-dimethylpyrazol-5-yl] 4-methylbenzenesulfonate
InChIKeyASRAWSBMDXVNLX-UHFFFAOYSA-N
SMILESCC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

Computed by PubChem (NCBI)