1-Ethyl-4-ethynylbenzene - ≥98% , CAS No.40307-11-7

CAS: 40307-11-7 Cat. No.: E115541 分子式: CH₃CH₂C₆H₄C≡CH 分子量: 130.19 EC番号: 609-817-2

GRADE & PURITY ≥98%

Synonyms

EN300-103947 | FT-0607757 | SB66851 | AKOS005146065 | AM20060617 | SY018461 | Ethyl-4-ethynylbenzene | ZNTJVJSUNSUMPP-UHFFFAOYSA-N | InChI=1/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H | 4-ethyl-1-ethynylbenzene | AC-4955 | 4-Ethylphenylacetylene | A187

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

1-Ethyl-4-ethynylbenzene undergoes homocoupling reaction in the presence of copper chloride (catalyst) and air (oxidant) to yield symmetrical 1,4-disubstituted 1,3-diyne.

Specifications

同義語

EN300-103947 | FT-0607757 | SB66851 | AKOS005146065 | AM20060617 | SY018461 | Ethyl-4-ethynylbenzene | ZNTJVJSUNSUMPP-UHFFFAOYSA-N | InChI=1/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H | 4-ethyl-1-ethynylbenzene | AC-4955 | 4-Ethylphenylacetylene | A187

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 504757244
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504757244
• カノニカル・スマイル: CCC1=CC=C(C=C1)C#C
• IUPAC Name: 1-ethyl-4-ethynylbenzene
• InChIKey: ZNTJVJSUNSUMPP-UHFFFAOYSA-N
• INCHI: 1S/C10H10/c1-3-9-5-7-10(4-2)8-6-9/h1,5-8H,4H2,2H3
• 異性体SMILES: CCC1=CC=C(C=C1)C#C
• WGKドイツ: 3
• 分子量: 130.19
• Reaxy-Rn: 2235581
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2235581&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Acetylides Acetylenes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Acetylide - Unsaturated hydrocarbon - Acetylene - Hydrocarbon - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

化学的性質と物理的性質

• 感度: Air sensitive.heat sensitive
• 屈折率: 1.542
• 引火点（°F）: 159.8 °F
• 引火点（°C）: 71 °C
• 沸点（°C）: 192°C
• 分子量: 130.190 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 130.078 Da
• Monoisotopic Mass: 130.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 40307-11-7, the molecular formula is C10H10, and the molecular weight is 130.19 g/mol. InChIKey ZNTJVJSUNSUMPP-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.