1-Butyne - ≥98% , CAS No.107-00-6

CAS: 107-00-6 Cat. No.: B165716 Formula: CH₃CH₂C≡CH Peso molecolare: 54.09 Numero 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads,FedEx DG Service

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Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCC#C
• IUPAC Name: but-1-yne
• InChIKey: KDKYADYSIPSCCQ-UHFFFAOYSA-N
• INCHI: 1S/C4H6/c1-3-4-2/h1H,4H2,2H3
• Isomeri SMILES: CCC#C
• WGK Germania: 3
• Numero UN: 2452
• Peso molecolare: 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
• 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 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