Dimethylmalononitrile - ≥98% , CAS No.7321-55-3

CAS: 7321-55-3 Cat. No.: D304504 Peso molecular: 94.12 Número EC: 628-248-0

GRADE & PURITY ≥98%

Synonyms

MFCD01321253 | 2,2-Dicyanopropane | D5514 | NSC 86109 | PS-17798 | DKA7D8BU8C | 2,2-Dimethylmalononitrile # | Dimethyldicyanomethane | Propanedinitrile,2,2-dimethyl- | Propanedinitrile, dimethyl- | EN300-749626 | AKOS015912471 | Dimethyl malononitrile | D

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product Application:

Dimethylmalononitrile may be employed as a starting reagent in the synthesis of bisoxazolines and (4′S,5′S)-2,2-bis[4′-hydroxymethyl-5′-phenyl-1′,3′-oxazolin-2′-yl]propane.

Specifications

Sinónimos

MFCD01321253 | 2, 2-Dicyanopropane | D5514 | NSC 86109 | PS-17798 | DKA7D8BU8C | 2, 2-Dimethylmalononitrile # | Dimethyldicyanomethane | Propanedinitrile, 2, 2-dimethyl- | Propanedinitrile, dimethyl- | EN300-749626 | AKOS015912471 | Dimethyl malononitrile | D

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

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

• Pubchem Sid: 504753141
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753141
• Sonrisas canónicas: CC(C)(C#N)C#N
• IUPAC Name: 2,2-dimethylpropanedinitrile
• InChIKey: BCMJJXWXMZYZKN-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
• Isómeros SMILES: CC(C)(C#N)C#N
• Peso molecular: 94.12
• Reaxy-Rn: 1740212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740212&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Organic cyanides
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitriles
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N.
• 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: Air Sensitive
• Punto de ebullición (°C): 120°C|24.8mmHg(lit.)
• Punto de fusión (°C): 34°C(lit.)
• Peso molecular: 94.110 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 94.0531 Da
• Monoisotopic Mass: 94.0531 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 131.000
• 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