Etridiazole - analytical standard , CAS No.2593-15-9

CAS: 2593-15-9 Cat. No.: E102737 Fórmula: C₅H₅Cl₃N₂OS Peso molecular: 247.53 Número EC: 219-991-8

CALIDAD & PUREZA Analytical standard

Synonyms

Echlomezol|Echlomezole|Etridiazol|Ethazol5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

Etridiazole is a fungicide, which is found to be effective against the oomycete group of fungi. It is used for seed treatment of various crops, in cotton cultivation during planting stage and non-bearing coffee and citrus fruits by horticultural nurseries.

Especificaciones

Sinónimos

Echlomezol | Echlomezole | Etridiazol | Ethazol5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Patrón analítico

Nombres e identificadores

Sonrisas canónicas

CCOC1=NC(=NS1)C(Cl)(Cl)Cl

IUPAC Name

5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole

InChIKey

KQTVWCSONPJJPE-UHFFFAOYSA-N

INCHI

1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3

Isómeros SMILES

CCOC1=NC(=NS1)C(Cl)(Cl)Cl

WGK Alemania

3

RTECS

XI3875000

Número ONU

2810

Peso molecular

247.53

Reaxy-Rn

1074817

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1074817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• External Descriptors: Pesticides

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de inflamación (°F): 310.1 °F
• Punto de inflamación (°C): 154°C
• Peso molecular: 247.500 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 245.919 Da
• Monoisotopic Mass: 245.919 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1