(4-Ethynylphenyl)trimethylsilane - ≥96% , CAS No.16116-92-0

CAS: 16116-92-0 Cat. No.: E305083 Molecular Weight: 174.32 EC Number: 834-689-1

GRADE & PURITY ≥96%

Synonyms

OUJWQLJTMSFUJI-UHFFFAOYSA-N | AKOS037621302 | (4-Ethynylphenyl)trimethylsilane | (4-ethynylphenyl)-trimethylsilane | 1-ethynyl-4-(trimethylsilyl)benzene | E1362 | MFCD26394823 | T71876 | p-trimethylsilylphenylacetylene | (4-Ethynylphenyl)(trimethyl)silane

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

OUJWQLJTMSFUJI-UHFFFAOYSA-N | AKOS037621302 | (4-Ethynylphenyl)trimethylsilane | (4-ethynylphenyl)-trimethylsilane | 1-ethynyl-4-(trimethylsilyl)benzene | E1362 | MFCD26394823 | T71876 | p-trimethylsilylphenylacetylene | (4-Ethynylphenyl)(trimethyl)silane

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C[Si](C)(C)C1=CC=C(C=C1)C#C
• IUPAC Name: (4-ethynylphenyl)-trimethylsilane
• InChIKey: OUJWQLJTMSFUJI-UHFFFAOYSA-N
• INCHI: 1S/C11H14Si/c1-5-10-6-8-11(9-7-10)12(2,3)4/h1,6-9H,2-4H3
• Isomeric SMILES: C[Si](C)(C)C1=CC=C(C=C1)C#C
• Molecular Weight: 174.32
• Reaxy-Rn: 2828441
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2828441&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organometallic compounds
    • Class Organometalloid compounds
      • Subclass Organosilicon compounds

• Kingdom: Organic compounds
• Superclass: Organometallic compounds
• Class: Organometalloid compounds
• Subclass: Organosilicon compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylarylsilanes
• Alternative Parents: Benzene and substituted derivatives Acetylides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkylarylsilane - Benzenoid - Monocyclic benzene moiety - Acetylide - Hydrocarbon derivative - Alkylsilane - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylarylsilanes. These are organosilicon compounds with the general formula R[Si]R' (R = alkyl, R' = aryl).
• 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive,Heat Sensitive
• Refractive Index: 1.52
• Flash Point(°C): 69 °C
• Boil Point(°C): 75°C/4mmHg(lit.)
• Molecular Weight: 174.310 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 174.086 Da
• Monoisotopic Mass: 174.086 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 183.000
• 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

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