Decanenitrile - ≥98%(GC) , CAS No.1975-78-6

CAS: 1975-78-6 Cat. No.: D154472 Peso molecular: 153.27 Beilstein Registry Number: 2(4)1051 Número EC: 217-830-6

GRADE & PURITY ≥98%(GC)

Synonyms

UNII-1602VQ5IVC | D2426 | DTXSID9027449 | 1602VQ5IVC | Decanonitrile | Q27251754 | 1-Cyanononane | NSC6085 | NSC-6085 | ethoxycarbohydrazide | Caprinitrile | EN300-7500553 | NSC 6085 | n-Decanenitrile | 1-Decanenitrile | 3-Thiahexane | NCGC00248853-01 | E

Storage

Room temperature

Shipped In

Normal

Descripción general

Decanonitrile, an organic compound with a nitrile group, plays a vital role in organic synthesis. The nitrile group is highly polar, making it a good electrophilic center. It can participate in nucleophilic attack, often serving as a key intermediate in the formation of other functional groups such as ketones, carboxylic acids, and amines. Additionally, decanonitrile acts as a precursor in the production of polyamides.

Specifications

Sinónimos

UNII-1602VQ5IVC | D2426 | DTXSID9027449 | 1602VQ5IVC | Decanonitrile | Q27251754 | 1-Cyanononane | NSC6085 | NSC-6085 | ethoxycarbohydrazide | Caprinitrile | EN300-7500553 | NSC 6085 | n-Decanenitrile | 1-Decanenitrile | 3-Thiahexane | NCGC00248853-01 | E

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488184979
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184979
• Sonrisas canónicas: CCCCCCCCCC#N
• IUPAC Name: decanenitrile
• InChIKey: HBZDPWBWBJMYRY-UHFFFAOYSA-N
• INCHI: 1S/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3
• Isómeros SMILES: CCCCCCCCCC#N
• Peso molecular: 153.27
• Beilstein: 2(4)1051
• Reaxy-Rn: 1750910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1750910&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

• Índice de refracción: 1.4290 to 1.4310
• Punto de inflamación (°C): 97°C
• Punto de ebullición (°C): 237°C
• Punto de fusión (°C): -15°C
• Peso molecular: 153.260 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 153.152 Da
• Monoisotopic Mass: 153.152 Da
• Topological Polar Surface Area: 23.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 109.000
• 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