(Trimethylsilyl)acetylene - ≥98% , CAS No.1066-54-2

CAS: 1066-54-2 Cat. No.: E106615 分子式: C₅H₁₀Si 分子量: 98.22 Beilstein Registry Number: 906752 EC番号: 213-919-9

GRADE & PURITY ≥98%

Synonyms

(Trimethylsilyl)acetylene | (trimethyl-silyl)acetylene | (trimethylsilyl)-acetylene | 1-(Trimethylsilyl)acetylene | 1-Trimethylsilylethyne | 1-trimethylsilyl-ethyne | Trimethylsilylacetylene | trimethylsilyl-acetylene | trimetylsilyl acetylene | Acetylene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

A substrate for nickel-catalyzed cross-coupling with benzonitriles. Pyrazole syntheses by 1,3-Dipolar cycloaddition of diazo compounds to acetylenes.

Ethynyltrimethylsilane was used in:

• microwave-assisted, one-pot, three-step Sonogashira cross-coupling-desilylation-cycloaddition reaction for the preparation of 1,4-disubstituted 1,2,3-triazoles

• synthesis of poly(ethynyltrimethylsilane) containing Pd (II) coordination sites

• pyrazole synthesis via 1,3-dipolar cycloaddition of diazo compounds to acetylenes

Specifications

同義語

(Trimethylsilyl)acetylene | (trimethyl-silyl)acetylene | (trimethylsilyl)-acetylene | 1-(Trimethylsilyl)acetylene | 1-Trimethylsilylethyne | 1-trimethylsilyl-ethyne | Trimethylsilylacetylene | trimethylsilyl-acetylene | trimetylsilyl acetylene | Acetylene

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

508806867

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508806867

カノニカル・スマイル

C[Si](C)(C)C#C

IUPAC Name

ethynyl(trimethyl)silane

InChIKey

CWMFRHBXRUITQE-UHFFFAOYSA-N

INCHI

1S/C5H10Si/c1-5-6(2,3)4/h1H,2-4H3

異性体SMILES

C[Si](C)(C)C#C

UN番号

1993

分子量

98.22

Beilstein

906752

Reaxy-Rn

906752

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=906752&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • 分類 Organometalloid compounds
      • Subclass Organosilicon compounds
        • Level5 Alkylsilanes
          • Level6 Trialkylsilanes

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• 分類: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Alkylsilanes
• Direct Parent: Trialkylsilanes
• Alternative Parents: Acetylides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkylsilane - Acetylide - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as trialkylsilanes. These are organosilicon compounds containing exactly one alkyl chain attached to the silicon atom.
• 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

• 溶解度: Miscible with organic solvents.
• 感度: Air and Moisture Sensitive
• 屈折率: 1.3873-1.3903
• 引火点（°F）: -29.2 °F
• 引火点（°C）: -34℃
• 沸点（°C）: 53°C
• 分子量: 98.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 98.0552 Da
• Monoisotopic Mass: 98.0552 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 77.800
• 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

XLogP3