Phoxim solution - analytical standard, 100ug/ml in petroleum ether , CAS No.14816-18-3

CAS: 14816-18-3 Cat. No.: P101298 Formule: C₁₂H₁₅N₂O₃PS Poids moléculaire: 298.30 Numéro CE: 238-887-3

GRADE & PURITY Analytical standard, 100ug/ml in petroleum ether

Synonyms

(2Z)-2-diethoxyphosphinothioyloxyimino-2-phenylacetonitrile | Baythion | Phoxime [INN-French] | O,O-Diethyl-.alpha.-cyanobenzylidineaminooxyphosphonothiate | .alpha.-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile | 1ST20170 | EPA Pesticide Chemi

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

(2Z)-2-diethoxyphosphinothioyloxyimino-2-phenylacetonitrile | Baythion | Phoxime [INN-French] | O,O-Diethyl-.alpha.-cyanobenzylidineaminooxyphosphonothiate | .alpha.-(((Diethoxyphosphinothioyl)oxy)imino)benzeneacetonitrile | 1ST20170 | EPA Pesticide Chemi

Spécifications et pureté

analytical standard, 100ug/ml in petroleum ether

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Analytical standard

Noms et identifiants

Pubchem Sid

528775765

Sourires canoniques

CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1

IUPAC Name

(Z)-N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide

InChIKey

ATROHALUCMTWTB-WYMLVPIESA-N

INCHI

1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+

Isomères SMILES

CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1

WGK Allemagne

3

RTECS

MD4740000

Numéro ONU

2810

Poids moléculaire

298.30

Reaxy-Rn

2995646

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2995646&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiophosphoric acid esters Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Organic thiophosphoric acid or derivatives - Thiophosphoric acid ester - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive.
• Point d'ébullition (°C): 102°C
• Poids moléculaire: 298.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 298.054 Da
• Monoisotopic Mass: 298.054 Da
• Topological Polar Surface Area: 95.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 389.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1