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

CAS: 7321-55-3 Cat. No.: D304504 Fórmula: C₅H₆N₂ Peso molecular: 94.12 Número CE: 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

Visão geral

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504753141
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753141
• Sorrisos canónicos: 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
• SMILES isoméricas: 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
    • Classe Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Air Sensitive
• Ponto de ebulição (°C): 120°C|24.8mmHg(lit.)
• Ponto de fusão (°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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 7321-55-3, the molecular formula is C5H6N2, and the molecular weight is 94.12 g/mol. InChIKey BCMJJXWXMZYZKN-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.