Diethyl malonate-d₂ - ≥95 atom% D,≥98% , CAS No.4303-49-5

CAS: 4303-49-5 Cat. No.: D472016 Peso molecular: 162.18 Número EC: 689-507-1

GRADE & PURITY ≥95 atom% D,≥98%

Synonyms

Diethyl malonate-d2 98 atom % D | D98476 | SCHEMBL1332048 | 1,3-Diethyl propanedioate-2,2-d2 | Diethyl malonate-d2 | Diethyl malonate-d2, 98 atom % D | diethyl 2,2-dideuteriopropanedioate | A935561 | DTXSID60480026 | AKOS015916129

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

Diethyl malonate-d2 98 atom % D | D98476 | SCHEMBL1332048 | 1, 3-Diethyl propanedioate-2, 2-d2 | Diethyl malonate-d2 | Diethyl malonate-d2, 98 atom % D | diethyl 2, 2-dideuteriopropanedioate | A935561 | DTXSID60480026 | AKOS015916129

Especificaciones y pureza

≥95 atom% D, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Pureza

≥95 atom% D, ≥98%

Nombres e identificadores

• Pubchem Sid: 504766961
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766961
• Sonrisas canónicas: CCOC(=O)CC(=O)OCC
• IUPAC Name: diethyl 2,2-dideuteriopropanedioate
• InChIKey: IYXGSMUGOJNHAZ-BFWBPSQCSA-N
• INCHI: 1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3/i5D2
• Isómeros SMILES: [2H]C([2H])(C(=O)OCC)C(=O)OCC
• Peso molecular: 162.18
• Reaxy-Rn: 774687
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774687&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

• Sensibilidad: Light sensitive；Moisture sensitive
• Índice de refracción: 1.4134 (lit.)
• Punto de ebullición (°C): 199 °C (lit.)
• Punto de fusión (°C): -51--50 °C (lit.)
• Peso molecular: 162.180 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 162.086 Da
• Monoisotopic Mass: 162.086 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 2
• 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