Dicapthon - analytical standard , CAS No.2463-84-5

CAS: 2463-84-5 Cat. No.: D114932 Formule: C₈H₉ClNO₅PS Poids moléculaire: 297.65 Numéro CE: 623-752-7

GRADE & PURITY Analytical standard

Synonyms

O-(2-Chloro-4-nitrophenyl) O,O-dimethyl thiophosphate # | O-(4-Chloor-3-nitro-fenyl)-O,O-dimethylmonothiofosfaat [Dutch] | p-Nitro-o-chlorophenyl dimethyl thionophosphate | Q27265392 | AKOS015903389 | Insecticide ACC 4124 | O-(4-Cloro-3-nitro-fenil)-O,O-d

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

O-(2-Chloro-4-nitrophenyl) O,O-dimethyl thiophosphate # | O-(4-Chloor-3-nitro-fenyl)-O,O-dimethylmonothiofosfaat [Dutch] | p-Nitro-o-chlorophenyl dimethyl thionophosphate | Q27265392 | AKOS015903389 | Insecticide ACC 4124 | O-(4-Cloro-3-nitro-fenil)-O,O-d

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

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

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 528771763
• Sourires canoniques: COP(=S)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl
• IUPAC Name: (2-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidene-λ5-phosphane
• InChIKey: OTKXWJHPGBRXCR-UHFFFAOYSA-N
• INCHI: 1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-8-4-3-6(10(11)12)5-7(8)9/h3-5H,1-2H3
• Isomères SMILES: COP(=S)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl
• WGK Allemagne: 3
• RTECS: TE7875000
• Numéro ONU: 2811
• Poids moléculaire: 297.65
• Reaxy-Rn: 1998406
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1998406&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: Nitrobenzenes Thiophosphate triesters Phenoxy compounds Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl thiophosphate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Thiophosphate triester - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: 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: Not available

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

Cibles associées (non humaines)

Abcb1b P-glycoprotein 1 (174 Activities)

Discover Target: Abcb1b

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 53℃
• Poids moléculaire: 297.650 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 296.963 Da
• Monoisotopic Mass: 296.963 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 318.000
• 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