Fenitrothion - analytical standard , CAS No.122-14-5

CAS: 122-14-5 Cat. No.: F294872 Formula: C₉H₁₂NO₅PS Peso molecolare: 277.23 Beilstein Registry Number: 8983553 Numero EC: 204-524-2

QUALITÀ & PUREZZA Analytical standard

Synonyms

Owadophos|Cekutrothion|Verthion|Akotion|Fenitox|Sumithion|Ovadofos|Owadofos|FENITROTHION|Methylnitrophos|Nitrophos|Sumifene|Metathionine|Nuvanol|Metathione|Folithion|Agrothion|Arbogal|Oleosumifene|Accothion|Phenitrothion|Falithion|Metathion

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifiche

Sinonimi

Owadophos | Cekutrothion | Verthion | Akotion | Fenitox | Sumithion | Ovadofos | Owadofos | FENITROTHION | Methylnitrophos | Nitrophos | Sumifene | Metathionine | Nuvanol | Metathione | Folithion | Agrothion | Arbogal | Oleosumifene | Accothion | Phenitrothion | Falithion | Metathion

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Tipo di azione

INHIBITOR

Nomi e identificatori

Pubchem Sid

528772122

Sorrisi canonici

CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]

IUPAC Name

dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-λ5-phosphane

InChIKey

ZNOLGFHPUIJIMJ-UHFFFAOYSA-N

INCHI

1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3

Isomeri SMILES

CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]

Numero UN

3017

Gruppo di imballaggio

I

Peso molecolare

277.23

Beilstein

8983553

Reaxy-Rn

1887367

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1887367&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic thiophosphoric acids and derivatives
      • Subclass Thiophosphoric acid esters
        • Level5 Aryl thiophosphates
          • Level6 Phenyl thiophosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic thiophosphoric acids and derivatives
• Subclass: Thiophosphoric acid esters
• Intermediate Tree Nodes: Aryl thiophosphates
• Direct Parent: Phenyl thiophosphates
• Alternative Parents: Nitrotoluenes Nitrobenzenes Thiophosphate triesters Phenoxy compounds Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl thiophosphate - Nitrobenzene - Nitrotoluene - Phenoxy compound - Nitroaromatic compound - Thiophosphate triester - Toluene - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenyl thiophosphates. These are organothiophosphorus compounds that contain a thiophosphoric acid O-esterified with a phenyl group.
• External Descriptors: a small molecule

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.5528
• Punto di infiammabilità (°C): >100°C
• Punto di ebollizione (°C): 140-145°C
• Peso molecolare: 277.240 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 277.017 Da
• Monoisotopic Mass: 277.017 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 313.000
• 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