Etridiazole Standard - 1000ug/ml in Purge and Trap Methanol , CAS No.2593-15-9

CAS: 2593-15-9 Cat. No.: E128253 Molecular Weight: 247.53 EC Number: 219-991-8

GRADE & PURITY 1000ug/ml in Purge and Trap Methanol

Synonyms

Etridiazole|2593-15-9|Echlomezole|Echlomezol|Ethazol|Etridiazol|5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole|Planvate|Terracoat|Aaterra|Banrot|Pansoil|Truban|Koban|TERRAZOLE|Etcmtb|Terracoat L21|Terrachlor-super X|Terraflo|1,2,4-Thiadiazole, 5-ethoxy-3-

Storage

Room temperature

Shipped In

Normal

Overview

Pesticides Single Component Standards

Specifications

Synonyms

Etridiazole | 2593-15-9 | Echlomezole | Echlomezol | Ethazol | Etridiazol | 5-Ethoxy-3-(trichloromethyl)-1, 2, 4-thiadiazole | Planvate | Terracoat | Aaterra | Banrot | Pansoil | Truban | Koban | TERRAZOLE | Etcmtb | Terracoat L21 | Terrachlor-super X | Terraflo | 1, 2, 4-Thiadiazole, 5-ethoxy-3-

Specifications & Purity

1000ug/ml in Purge and Trap Methanol

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCOC1=NC(=NS1)C(Cl)(Cl)Cl
• WGK Germany: 3
• RTECS: XI3875000
• UN Number: 2810
• Molecular Weight: 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
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 310.1 °F
• Flash Point(°C): 154°C
• Molecular Weight: 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