2-[(Trimethylsilyl)ethynyl]aniline - ≥97% , CAS No.103529-16-4

CAS: 103529-16-4 Cat. No.: T165561 Molecular Weight: 189.33 EC Number: 626-608-1 PubChem CID: 4377953

GRADE & PURITY ≥97%

Synonyms

2-(trimethylsilylethynyl)aniline | AKOS015912997 | ISXSBRZDPKQYSC-UHFFFAOYSA-N | 2-[2-(TRIMETHYLSILYL)ETHYNYL]ANILINE | SCHEMBL3150946 | DTXSID00402601 | 2-[(Trimethylsilyl)ethynyl]aniline, 97% | AS-77198 | InChI=1/C11H15NSi/c1-13(2,3)9-8-10-6-4-5-7-11(10

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

description：

2-[(Trimethylsilyl)ethynyl]aniline is a 2-ethynylaniline derivative that can be prepared by the palladium-catalyzed reaction between 2-bromonitrobenzene and trimethylsilylacetylene.

application：

2-[(Trimethylsilyl)ethynyl]aniline (2-(2-Trimethylsilylethynyl)aniline) may be used in the synthesis of:

N-(2-trimethylsilylethynylphenyl)methanesulfonamide

8-(2-((trimethylsilyl)ethynyl)phenylamino)-7H-naphtho[1,8-bc]acridin-7-one

2-phenyl-4-alkoxy quinolines

Specifications

Synonyms

2-(trimethylsilylethynyl)aniline | AKOS015912997 | ISXSBRZDPKQYSC-UHFFFAOYSA-N | 2-[2-(TRIMETHYLSILYL)ETHYNYL]ANILINE | SCHEMBL3150946 | DTXSID00402601 | 2-[(Trimethylsilyl)ethynyl]aniline, 97% | AS-77198 | InChI=1/C11H15NSi/c1-13(2, 3)9-8-10-6-4-5-7-11(10

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762988
• Canonical Smiles: C[Si](C)(C)C#CC1=CC=CC=C1N
• IUPAC Name: 2-(2-trimethylsilylethynyl)aniline
• InChIKey: ISXSBRZDPKQYSC-UHFFFAOYSA-N
• INCHI: 1S/C11H15NSi/c1-13(2,3)9-8-10-6-4-5-7-11(10)12/h4-7H,12H2,1-3H3
• Isomeric SMILES: C[Si](C)(C)C#CC1=CC=CC=C1N
• WGK Germany: 3
• PubChem CID: 4377953
• Molecular Weight: 189.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Trialkylsilanes Organic metalloid salts Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Trialkylsilane - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organosilicon compound - Alkylsilane - Primary amine - Organonitrogen compound - Organic metalloid moeity - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Refractive Index: 1.564
• Flash Point(°F): 230 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 120 °C/0.1 mmHg
• Molecular Weight: 189.330 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 189.097 Da
• Monoisotopic Mass: 189.097 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 227.000
• 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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