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

CAS: 1975-78-6 Cat. No.: D154472 分子式: C₁₀H₁₉N 分子量: 153.27 Beilstein Registry Number: 2(4)1051 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

• パブケム・シド: 488184979
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184979
• カノニカル・スマイル: 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
• 異性体SMILES: CCCCCCCCCC#N
• 分子量: 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
    • 分類 Organonitrogen compounds
      • Subclass Organic cyanides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.4290 to 1.4310
• 引火点（°C）: 97°C
• 沸点（°C）: 237°C
• 融点（°C）: -15°C
• 分子量: 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