ethanedicarbonimidoyl dicyanide - ≥98% , CAS No.28321-79-1

CAS: 28321-79-1 Cat. No.: E770769 Formule: C₄H₂N₄ Poids moléculaire: 106.08 Numéro CE: 248-963-8

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C(#N)C(=N)C(=N)C#N
• InChIKey: JUFLTGRGLUCRCU-UHFFFAOYSA-N
• INCHI: 1S/C4H2N4/c5-1-3(7)4(8)2-6/h7-8H
• Isomères SMILES: C(#N)C(=N)C(=N)C#N
• Poids moléculaire: 106.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Imines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Imines
• Intermediate Tree Nodes: Not available
• Direct Parent: Ketimines
• Alternative Parents: Nitriles Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ketimine - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as ketimines. These are organic compounds bearing the ketimine functional group, with the general structure R2C=NR' ( R is not a hydrogen ).
• 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 de fusion (°C): 165-166 °C (lit.)
• Poids moléculaire: 106.090 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 106.028 Da
• Monoisotopic Mass: 106.028 Da
• Topological Polar Surface Area: 95.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 193.000
• 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

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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 room temperature.

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

The CAS Number is 28321-79-1, the molecular formula is C4H2N4, and the molecular weight is 106.08 g/mol. InChIKey JUFLTGRGLUCRCU-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.