Pyridaphenthion Pesticide Purity Reference Material - ≥99.6%, U=0.4%(k=2) , CAS No.119-12-0

CAS: 119-12-0 Cat. No.: P119865 Peso molecular: 340.33 Número EC: 204-298-5

GRADE & PURITY U=0.4%(k=2)

Synonyms

PYRIDAPHENTHION|Pyridafenthion|119-12-0|Ofnack|Ofnak|Pyridiphenthion|American cyanamid 12,503|Phosphorothioic acid, O-(1,6-dihydro-6-oxo-1-phenyl-3-pyridazinyl) O,O-diethyl ester|ENT 23,968|CL 12503|O,O-Diethyl O-(1,6-dihydro-6-oxo-1-phenylpyridazin-3-yl)

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Descripción general

Hardly soluble in water, soluble in organic solvents such as acetone, methanol, and ether. Slightly soluble in hexane, petroleum ether

Before use, dry it in a P2O5 dryer for more than 48 hours to remove moisture. This standard substance is a toxic and hazardous substance, and it should be protected when using it to avoid inhalation or contact with the skin. After the sample is opened, the sealed state should be restored as soon as possible and stored under the specified conditions.

Specifications

Sinónimos

PYRIDAPHENTHION | Pyridafenthion | 119-12-0 | Ofnack | Ofnak | Pyridiphenthion | American cyanamid 12, 503 | Phosphorothioic acid, O-(1, 6-dihydro-6-oxo-1-phenyl-3-pyridazinyl) O, O-diethyl ester | ENT 23, 968 | CL 12503 | O, O-Diethyl O-(1, 6-dihydro-6-oxo-1-phenylpyridazin-3-yl)

Especificaciones y pureza

≥99.6%, U=0.4%(k=2)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Desiccated

Enviado en

Wet ice

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

Nombres e identificadores

• Sonrisas canónicas: CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2
• IUPAC Name: 6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one
• InChIKey: CXJSOEPQXUCJSA-UHFFFAOYSA-N
• INCHI: 1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3
• Isómeros SMILES: CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2
• WGK Alemania: 3
• RTECS: TF2275000
• Peso molecular: 340.33
• Reaxy-Rn: 302741
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=302741&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thiophosphates
• Alternative Parents: Thiophosphate triesters Pyridazinones Benzene and substituted derivatives Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thiophosphate - Thiophosphate triester - Pyridazinone - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Lactam - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thiophosphates. These are organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure ROP(OR')(OR'')=S, where at least one R-group is an aryl group.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 54.5-56°C
• Peso molecular: 340.340 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 340.065 Da
• Monoisotopic Mass: 340.065 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 493.000
• 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

Referencias

1. Linfeng Chen, Xike Tian, Yong Li, Liqiang Lu, Yulun Nie, Yanxin Wang.  (2020)  Broad-spectrum pesticide screening by multiple cholinesterases and thiocholine sensors assembled high-throughput optical array system.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:33254811] [10.1016/j.jhazmat.2020.123830]