Phenthoate - ≥98% , CAS No.2597-03-7

CAS: 2597-03-7 Cat. No.: P1445805 Molecular Weight: 320.36 Beilstein Registry Number: 2474108 EC Number: 219-997-0 PubChem CID: 17435

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Phenthoate is an organophosphorus pesticide having low toxicity in animals. Phenthoate is also a AChE inhibitor.

Specifications

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

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