Phenthoate (Standard) , CAS No.2597-03-7

CAS: 2597-03-7 Cat. No.: P1445413 Formula: C₁₂H₁₇O₄PS₂ Molecular Weight: 320.36 Beilstein Registry Number: 2474108 EC Number: 219-997-0 PubChem CID: 17435

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Phenthoate (Standard) is the analytical standard of Phenthoate. This product is intended for research and analytical applications. Phenthoate is an organophosphorus pesticide having low toxicity in animals. Phenthoate is also a AChE inhibitor.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Canonical Smiles

CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC

IUPAC Name

ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate

InChIKey

XAMUDJHXFNRLCY-UHFFFAOYSA-N

INCHI

1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC

WGK Germany

3

RTECS

AI7875000

PubChem CID

17435

Molecular Weight

320.36

Beilstein

2474108

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Dithiophosphate S-esters Dithiophosphate O-esters Carboxylic acid esters Sulfenyl compounds Organothiophosphorus compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Dithiophosphate o-ester - Dithiophosphate s-ester - Organic dithiophosphate - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organothiophosphorus compound - Sulfenyl compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: Organophosphorus insecticides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2597-03-7, the molecular formula is C12H17O4PS2, and the molecular weight is 320.36 g/mol. InChIKey XAMUDJHXFNRLCY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.