1-Dodecyne - ≥95%(GC) , CAS No.765-03-7

CAS: 765-03-7 Cat. No.: D155789 分子式: C₁₂H₂₂ 分子量: 166.31 Beilstein Registry Number: 1261 EC番号: 212-134-9

グレード＆純度 ≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

1-Dodecyne was used in the synthesis of stable ruthenium nanoparticles.

仕様

仕様と純度

≥95%(GC)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%(GC)

名前と識別子

パブケム・シド

488184407

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488184407

カノニカル・スマイル

CCCCCCCCCCC#C

IUPAC Name

dodec-1-yne

InChIKey

ZVDBUOGYYYNMQI-UHFFFAOYSA-N

INCHI

1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3

異性体SMILES

CCCCCCCCCCC#C

WGKドイツ

3

分子量

166.31

Beilstein

1261

Reaxy-Rn

1741320

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1741320&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• 分類: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Terminal alkynes Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Alkyne - Acyclic acetylene - Acetylene - Hydrocarbon - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
• 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

• 溶解度: Not miscible in water.
• 感度: air sensitive
• 屈折率: 1.434
• 引火点（°F）: 174.2 °F
• 引火点（°C）: 79℃
• 沸点（°C）: 214-216℃
• 融点（°C）: -19℃
• 分子量: 166.300 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 8
• Exact Mass: 166.172 Da
• Monoisotopic Mass: 166.172 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 115.000
• 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