Pyrithiobac

Name: Pyrithiobac
Brand: Vaqora Chemicals
SKU: VQ-051623

About Pyrithiobac

Vaqora Chemicals supplies Pyrithiobac, a diazine derivative registered under CAS number 123342-93-8. Formula C13H11ClN2O4S, molecular weight 326.76 g/mol. The IUPAC name is 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid. It is also known as Pyrithiobac [ISO].

Store in a tightly closed container in a cool, dry and well-ventilated place. Under GHS it is labelled “Warning”, so handle it with suitable PPE and consult the SDS.

It is commonly used for organic synthesis and API synthesis. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

We offer Pyrithiobac in 100 mg, 250 mg, 1 g and 5 g packs with a batch-specific COA, and ship to customers worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request. Custom pack sizes, bulk quantities and specific analytical data can be arranged on request.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Pyrithiobac
Catalogue No.	VQ-051623
CAS Number	123342-93-8
IUPAC name	2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid
Molecular formula	C₁₃H₁₁ClN₂O₄S
Molecular weight	326.76 g/mol
Exact mass	326.0128
HSN code	2933
InChIKey	QEGVVEOAVNHRAA-UHFFFAOYSA-N
SMILES	COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)O)OC
PubChem CID	91781

Physical properties
Physical form	Other
LogP (XLogP3)	3.4
H-bond donors / acceptors	1 / 7
TPSA	107 Å²
Synonyms	Pyrithiobac [ISO], 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid, 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid, 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)thio]benzoic acid, Benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]-, 2-Chloranyl-6-(4,6-Dimethoxypyrimidin-2-Yl)sulfanyl-Benzoic Acid, 2-Chloro-6-((4,6-dimethoxypyrimidin-2-yl)thio)benzoic acid, 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-benzoic Acid, 2-chloro-6-[(4,6-dimethoxypyrimidin-2-yl)sulfanyl]benzoic acid, 2-chloro-6-[(4,6-dimethoxy-2pyrimidinyl)thio]benzoic acid, 6-chloro-2-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid, 6-chloro-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid

Safety & hazard information (GHS)

Environmental hazard

Signal word: Warning

Hazard statements

H400Very toxic to aquatic life
H410Very toxic to aquatic life with long lasting effects

Precautionary statements: P273, P391, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Pyrithiobac?

The CAS Registry Number of Pyrithiobac is 123342-93-8. It is also known as Pyrithiobac [ISO], 2-chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid, 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid.

What is the molecular formula and molecular weight of Pyrithiobac?

Pyrithiobac has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)sulfanylbenzoic acid.

Which grade and pack sizes of Pyrithiobac can I order?

We supply Pyrithiobac, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Pyrithiobac?

Yes. Every lot of Pyrithiobac is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Pyrithiobac be shipped internationally?

Yes. Pyrithiobac is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.