1-Ethynyl-1-methylcyclopropane - ≥95% , CAS No.2809-75-8

CAS: 2809-75-8 Cat. No.: E979319 Formula: C₆H₈ Peso molecolare: 80.130 Numero EC: 822-835-7

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CC1(CC1)C#C
• IUPAC Name: 1-ethynyl-1-methylcyclopropane
• InChIKey: DLXBUAFBLMXVMT-UHFFFAOYSA-N
• INCHI: 1S/C6H8/c1-3-6(2)4-5-6/h1H,4-5H2,2H3
• Peso molecolare: 80.130

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Carbides
    • Classe Acetylides

• Kingdom: Organic compounds
• Superclass: Carbides
• Classe: Acetylides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Unsaturated aliphatic hydrocarbons Acetylenes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Acetylide - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aliphatic homomonocyclic 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: 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

Proprietà chimiche e fisiche

• Peso molecolare: 80.130 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 80.0626 Da
• Monoisotopic Mass: 80.0626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 98.500
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2809-75-8, the molecular formula is C6H8, and the molecular weight is 80.130 g/mol. InChIKey DLXBUAFBLMXVMT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.