Dimethachlon - ≥90% , CAS No.24096-53-5

CAS: 24096-53-5 Cat. No.: D131656 Formula: C₁₀H₇Cl₂NO₂ Molecular Weight: 242.98 EC Number: 846-082-9

GRADE & PURITY ≥90%

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

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

Specifications & Purity

≥90%

Storage

Room temperature

Shipped In

Normal

Purity

≥90%

Names and Identifiers

Pubchem Sid

488186619

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186619

Canonical Smiles

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

Isomeric SMILES

C1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl

Molecular Weight

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
    • Class Pyrrolidines
      • Subclass Phenylpyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(non-human)

Sclerotinia sclerotiorum (877 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 137.5-139°C
• Molecular Weight: 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥90% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 24096-53-5, the molecular formula is C10H7Cl2NO2, and the molecular weight is 242.98 g/mol. InChIKey CFZLNRGUBAVQNO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.