1-Butyne - ≥98% , CAS No.107-00-6

CAS: 107-00-6 Cat. No.: B165716 Fórmula: CH₃CH₂C≡CH Peso molecular: 54.09 Número EC: 203-451-3

GRADE & PURITY ≥98%

Synonyms

n-but-1-yne | A6B47CPN6W | CHEBI:48087 | Ethylacetylene, inhibited | UN2452 | Ethyl acetylene | 1-Butyne 98% | 1-BUTYNE | FT-0607566 | UN 2452 | Ethyl acetylene, inhibited | UNII-A6B47CPN6W | Ethylacetylene | Ethylethyne | EINECS 203-451-3 | Ethylacetylen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Sinónimos

n-but-1-yne | A6B47CPN6W | CHEBI:48087 | Ethylacetylene, inhibited | UN2452 | Ethyl acetylene | 1-Butyne 98% | 1-BUTYNE | FT-0607566 | UN 2452 | Ethyl acetylene, inhibited | UNII-A6B47CPN6W | Ethylacetylene | Ethylethyne | EINECS 203-451-3 | Ethylacetylen

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads,FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CCC#C

IUPAC Name

but-1-yne

InChIKey

KDKYADYSIPSCCQ-UHFFFAOYSA-N

INCHI

1S/C4H6/c1-3-4-2/h1H,4H2,2H3

Isómeros SMILES

CCC#C

WGK Alemania

3

Número ONU

2452

Peso molecular

54.09

Reaxy-Rn

1304439

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1304439&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• Clase: 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
• Descripción: 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: terminal acetylenic compound - alkyne

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

Propiedades químicas y físicas

• Peso molecular: 54.090 g/mol
• XLogP3: 1.300
• 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: 35.200
• 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