ChemicalBook--->CAS DataBase List--->123343-16-8

123343-16-8

123343-16-8 Structure

123343-16-8 Structure
IdentificationBack Directory
[Name]

Pyrithiobac-sodium
[CAS]

123343-16-8
[Synonyms]

STAPLE
KIH 2031
dpx-pe350
staple plus
Pyrithiobac so
Pyrithiobac-sodiu
PYRITHIOBAC-SODIUM
pyrithiobac sodium salt
Pyrithiobac-sodium [iso]
Pyrithiobac-sodium Standard
Pyrithiobac-SodiumSolution,1,000mg/L,1ml
pyrithiobac-sodium (bsi, pa e-iso, ansi)
Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoate
sodium 2-chloro-6-(4,6-dimethixypyrimidin-2-ylthio)benzoate
Sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio0benzoate
sodium 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)benzoate
2-chloro-5-(4,6-dimethoxypyrimidin-2-ylthio)benzoic sodium salt
Sodium 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoate
2-chloro-6-{(4,6-dimethoxy-2-pyrimidinyl)thio}benzoic acid sodium salt
2-Chloro-6-[(4,6-dimethoxypyrimidin-2-yl)-thio]-benzoic acid sodium salt
Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodiu, salt
Benzoic acid, 2-chloro-6-((4,6-dimethoxy-2-pyrimidinyl)thio)-, sodium salt
[EINECS(EC#)]

602-931-3
[Molecular Formula]

C13H10ClN2NaO4S
[MDL Number]

MFCD04112620
[MOL File]

123343-16-8.mol
[Molecular Weight]

348.74
Chemical PropertiesBack Directory
[Melting point ]

233-234°C
[Fp ]

234°C
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[solubility ]

Aqueous Base (Slightly), Water (Slightly)
[form ]

Solid
[color ]

Yellow to Dark Yellow
[Water Solubility ]

705 g/L (pH7)
[Decomposition ]

234 ºC
[Stability:]

Hygroscopic
[InChI]

InChI=1S/C13H11ClN2O4S.Na/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18;/h3-6H,1-2H3,(H,17,18);/q;+1/p-1
[InChIKey]

CNILNQMBAHKMFS-UHFFFAOYSA-M
[SMILES]

C1(SC2=CC=CC(Cl)=C2C(=O)[O-])N=C(OC)C=C(OC)N=1.[Na+]
[EPA Substance Registry System]

Pyrithiobac-sodium (123343-16-8)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H410
[Precautionary statements ]

P273-P391-P501
[Toxicity]

LD50 in male, female rats (mg/kg): 1000-3000, 3000-5000 orally; LD50 in rats (mg/kg): >2000 dermally (Takahashi)
Hazard InformationBack Directory
[Description]

Pyrithiobac-sodium is a post-emergence herbicide for the control of broad-leaved weeds in cotton and other crops. It has a high aqueous solubility, is non-volatile and, based on its chemical properties, it is very mobile and has high potential to leach to groundwater. It is generally moderately persistent in soil systems but tends to be non-persistent in aquatic systems. It has a low mammalian toxicity but may bioaccumulate.
[Chemical Properties]

The pure product is a white solid; melting point: 233.8-234.2°C (decomposition); vapor pressure: 4.80 *10^-9 Pa; distribution coefficient: LogP(20°C)= 0.6(pH 5), -0.84(pH 7). Solubility in water (20°C, g/l): 264(pH 5), 705(pH 7), 690(pH 9), 728(distilled water); solubility in other solvents (20°C, mg/l): acetone 812, methanol 270000, dichloromethane 8.38, n-hexane 10. It is stable in aqueous solvents at pH 5-9, 27°C for 32 days, and stable when heated and stored at 54°C for 15 days.
[Uses]

Herbicide.
[Uses]

Pyrithiobacsodium can be used as pesticides of interest in agricultural crop.
[Definition]

ChEBI: Pyrithiobac-sodium is an organic molecular entity.
[Production Methods]

Pyrithiobac-sodium is commercially synthesised through a multi-step process involving the condensation of chlorinated pyrimidine and phenylthioacetic acid derivatives. The production begins with the preparation of a chlorinated pyrimidinyl intermediate, which is reacted with a substituted phenylthioacetic acid in the presence of a base to form the core thioether linkage. This intermediate is then neutralised with sodium hydroxide to yield the sodium salt form, enhancing water solubility and formulation stability. The final compound is purified through crystallisation and dried under controlled conditions.
[Mechanism of action]

Pyrithiobac sodium acts on Acetolactate Synthase enzyme of the plant leaf and controls the growth of weeds and Quizalofop ethyl acts on acetyl-CoA carboxylase (ACCase) enzyme which stops the only grassy weed growth.
[Pesticide Type]

Herbicide
Spectrum DetailBack Directory
[Spectrum Detail]

Pyrithiobac-sodium(123343-16-8)1HNMR
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