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

CAS: 765-03-7 Cat. No.: D155789 Fórmula: C₁₂H₂₂ Peso molecular: 166.31 Beilstein Registry Number: 1261 Número CE: 212-134-9

GRAU & PUREZA ≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

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

Especificações

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

488184407

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

CCCCCCCCCCC#C

WGK Alemanha

3

Peso molecular

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
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Not miscible in water.
• Sensibilidade: air sensitive
• Índice de refração: 1.434
• Ponto de inflamação (°F): 174.2 °F
• Ponto de inflamação (°C): 79℃
• Ponto de ebulição (°C): 214-216℃
• Ponto de fusão (°C): -19℃
• Peso molecular: 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