Diethylmalonyl dichloride - ≥98% , CAS No.54505-72-5

CAS: 54505-72-5 Cat. No.: D472502 Formule: ClCOC(C₂H₅)₂COCl Poids moléculaire: 197.06 Numéro CE: 628-346-3

GRADE & PURITY ≥98%

Synonyms

FT-0640255 | Diethylmalonyl dichloride, 98% | Diethyl malonyl dichloride | SCHEMBL551928 | 2,2-diethylmalonyl dichloride | Diethylmalonic acid dichloride | DTXSID40399920 | Diathylmalonylchlorid | diethylmalonyl chloride | 2,2-diethylpropanedioyl Dichlori

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Description

Diethylmalonyl dichloride has been used in the preparation of:5,5-diethyl-1,3-dihydroxybarbituric acid (N,N′-dihydroxyveronal) via condensation with 1,3-dibenzyloxyurea1,11-dibronzo-4,8-diaza-6,6-diethyl-5,7-dioxoundecaneamide containing crowned derivatives of dithiomaleonitrile

Specifications

Synonymes

FT-0640255 | Diethylmalonyl dichloride, 98% | Diethyl malonyl dichloride | SCHEMBL551928 | 2,2-diethylmalonyl dichloride | Diethylmalonic acid dichloride | DTXSID40399920 | Diathylmalonylchlorid | diethylmalonyl chloride | 2,2-diethylpropanedioyl Dichlori

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: CCC(CC)(C(=O)Cl)C(=O)Cl
• IUPAC Name: 2,2-diethylpropanedioyl dichloride
• InChIKey: FWKCXFPQSXNCBW-UHFFFAOYSA-N
• INCHI: 1S/C7H10Cl2O2/c1-3-7(4-2,5(8)10)6(9)11/h3-4H2,1-2H3
• Isomères SMILES: CCC(CC)(C(=O)Cl)C(=O)Cl
• WGK Allemagne: 3
• Poids moléculaire: 197.06
• Reaxy-Rn: 742482
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742482&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Classe Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Classe: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 165.2 °F
• Point d'éclair (°C): 74 °C
• Poids moléculaire: 197.060 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 196.006 Da
• Monoisotopic Mass: 196.006 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 157.000
• 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