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

CAS: 54505-72-5 Cat. No.: D472502 Fórmula: ClCOC(C₂H₅)₂COCl Peso molecular: 197.06 Número EC: 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

Descripción general

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

Sinónimos

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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: CCC(CC)(C(=O)Cl)C(=O)Cl
• WGK Alemania: 3
• Peso molecular: 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
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Punto de inflamación (°F): 165.2 °F
• Punto de inflamación (°C): 74 °C
• Peso molecular: 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