Tetramethylsuccinonitrile - ≥98%(N) , CAS No.3333-52-6

CAS: 3333-52-6 Cat. No.: T161622 Fórmula: C₈H₁₂N₂ Peso molecular: 136.2 Beilstein Registry Number: 2(4)2054 Número CE: 608-859-9 PubChem CID: 18745

GRADE & PURITY ≥98%(N)

Synonyms

Tetramethylsuccinodinitrile | NSC39746 | NSC-39746 | CP 75475 | 2,2,3,3-Tetramethylsuccinonitrile | 2,2,3,3-Tetramethyl-succinonitrile | 2,2,3,3-Tetramethylbutanedinitrile | BS-43981 | NCGC00258127-01 | CCRIS 1551 | T0155 | DTXSID0026125 | ZVQXQPNJHRNGID-

Storage

Room temperature

Shipped In

Normal

Visão geral

Application：

Tetramethylsuccinonitrile can be used as a reactant to synthesize:

3,4-Dihydro-3H-pyrrol-2-imines by reacting with aryl lithium species in the presence of TMSCl.

Phenyl substituted metal-free fused tetraazachlorins by condensation reaction with substituted phthalonitrile derivatives in the presence of InCl3.

Specifications

Sinónimos

Tetramethylsuccinodinitrile | NSC39746 | NSC-39746 | CP 75475 | 2,2,3,3-Tetramethylsuccinonitrile | 2,2,3,3-Tetramethyl-succinonitrile | 2,2,3,3-Tetramethylbutanedinitrile | BS-43981 | NCGC00258127-01 | CCRIS 1551 | T0155 | DTXSID0026125 | ZVQXQPNJHRNGID-

Especificações e pureza

≥98%(N)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(N)

Nomes e identificadores

• Pubchem Sid: 504752904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752904
• Sorrisos canónicos: CC(C)(C#N)C(C)(C)C#N
• IUPAC Name: 2,2,3,3-tetramethylbutanedinitrile
• InChIKey: ZVQXQPNJHRNGID-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3
• SMILES isoméricas: CC(C)(C#N)C(C)(C)C#N
• RTECS: WN4025000
• PubChem CID: 18745
• Número UN: 3439
• Grupo de embalagem: I
• Peso molecular: 136.2
• Beilstein: 2(4)2054
• Reaxy-Rn: 1752813

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

• Solubilidade: Insoluble in water; Soluble in Methanol,Ethanol
• Ponto de fusão (°C): 171 °C
• Peso molecular: 136.190 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.1 Da
• Monoisotopic Mass: 136.1 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 192.000
• 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

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 3333-52-6, the molecular formula is C8H12N2, and the molecular weight is 136.2 g/mol. InChIKey ZVQXQPNJHRNGID-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.