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

CAS: 765-03-7 Cat. No.: D155789 Formula: C₁₂H₂₂ Molecular Weight: 166.31 Beilstein Registry Number: 1261 EC Number: 212-134-9

GRADE & PURITY ≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

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

Specifications

Specifications & Purity

≥95%(GC)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(GC)

Names and Identifiers

Pubchem Sid

488184407

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

CCCCCCCCCCC#C

WGK Germany

3

Molecular Weight

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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Not miscible in water.
• Sensitivity: air sensitive
• x_refractive_index: 1.434
• x_flash_point_drop_fahrenheit: 174.2 °F
• x_flash_point_drop_centigrade: 79℃
• x_boil_point_char: 214-216℃
• x_melt_point_char: -19℃
• Molecular Weight: 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