Dimethachlon - analytical standard , CAS No.24096-53-5

CAS: 24096-53-5 Cat. No.: D109979 Peso molecular: 242.98 Número EC: 846-082-9

GRADE & PURITY Analytical standard

Synonyms

Z198211758 | EN300-7473442 | FT-0638391 | Q27107439 | A817094 | 1-(3,5-dichlorphenyl)-2,5-pyrrolidindion | starbld0016585 | S-47127 | SCHEMBL410360 | BRN 1533840 | N-(3,5-Dichlorophenyl)succinimide | N-(3,5-Dichlorophenyl)-succinimide | Dimetachlone | DIM

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z198211758 | EN300-7473442 | FT-0638391 | Q27107439 | A817094 | 1-(3, 5-dichlorphenyl)-2, 5-pyrrolidindion | starbld0016585 | S-47127 | SCHEMBL410360 | BRN 1533840 | N-(3, 5-Dichlorophenyl)succinimide | N-(3, 5-Dichlorophenyl)-succinimide | Dimetachlone | DIM

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: C1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
• IUPAC Name: 1-(3,5-dichlorophenyl)pyrrolidine-2,5-dione
• InChIKey: CFZLNRGUBAVQNO-UHFFFAOYSA-N
• INCHI: 1S/C10H7Cl2NO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2
• Isómeros SMILES: C1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
• Peso molecular: 242.98
• Reaxy-Rn: 1533840
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1533840&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolidines
• Subclass: Phenylpyrrolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrrolidines
• Alternative Parents: Dichlorobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Aryl chlorides Pyrroles Dicarboximides Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-phenylpyrrolidine - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Pyrrole - Dicarboximide - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
• External Descriptors: pyrrolidines

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

Objetivos asociados (no humanos)

Sclerotinia sclerotiorum (877 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 137.5-139°C
• Peso molecular: 244.070 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 242.985 Da
• Monoisotopic Mass: 242.985 Da
• Topological Polar Surface Area: 37.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 269.000
• 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. Yang Li, Xiaohuan Zang, Yahuan Li, Shuaihua Zhang, Chun Wang, Zhi Wang.  (2023)  Selective extraction of fungicides from fruit samples with defective UiO-66 as solid-phase microextraction fiber coating.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108608]