2-Butyne - ≥97% , CAS No.503-17-3

CAS: 503-17-3 Cat. No.: B153027 Formula: C₄H₆ Molecular Weight: 54.09 EC Number: 207-962-2

GRADE & PURITY ≥97%

Synonyms

Dimethylacetylene | 2-BUTINE | DTXSID3060116 | AKOS015841146 | UN1144 | UN-1144 | MFCD00009275 | Crotonylene | UN 1144 | But-2-yne | LKE6D3018E | UNII-LKE6D3018E | dimethyl acetylene | CHEMBL119108

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Overview

The ion-molecule reaction of the aromatic distonic N-methyl-pyridinium-4-yl radical cation with 2-butyne has been investigated using ion trap mass spectrometry
2-Butyne has been used in preparation of THF-free metallacyclobutene complexe

Application：

2-Butyne has been used in preparation of THF-free metallacyclobutene complexes.

Specifications

Synonyms

Dimethylacetylene | 2-BUTINE | DTXSID3060116 | AKOS015841146 | UN1144 | UN-1144 | MFCD00009275 | Crotonylene | UN 1144 | But-2-yne | LKE6D3018E | UNII-LKE6D3018E | dimethyl acetylene | CHEMBL119108

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

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

Purity

≥97%

Names and Identifiers

Pubchem Sid

508807992

Canonical Smiles

CC#CC

IUPAC Name

but-2-yne

InChIKey

XNMQEEKYCVKGBD-UHFFFAOYSA-N

INCHI

1S/C4H6/c1-3-4-2/h1-2H3

Isomeric SMILES

CC#CC

WGK Germany

3

UN Number

1144

Packing Group

I

Molecular Weight

54.09

Reaxy-Rn

1361340

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1361340&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Unsaturated hydrocarbons
      • Subclass Acetylenes
        • Level5 Acyclic acetylenes
          • Level6 Alkynes
            • Level7 Terminal alkynes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Unsaturated hydrocarbons
• Subclass: Acetylenes
• Intermediate Tree Nodes: Acyclic acetylenes - Alkynes
• Direct Parent: Terminal alkynes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as terminal alkynes. These are alkynes featuring a carbon substituent on one acetylenic carbon, and a hydrogen on the other 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Not miscible in water.
• Sensitivity: Light sensitive;Heat sensitive
• Refractive Index: 1.39
• Flash Point(°F): -56°F
• Flash Point(°C): -49 ℃
• Boil Point(°C): 27 °C
• Melt Point(°C): -32°C
• Molecular Weight: 54.090 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 54.047 Da
• Monoisotopic Mass: 54.047 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 42.900
• 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