Trimethylsilylethynyl(phenyl)iodonium Tetrafluoroborate - ≥98%(T) , CAS No.127783-36-2

CAS: 127783-36-2 Cat. No.: T162445 Molecular Weight: 388.03 EC Number: 679-679-6 PubChem CID: 10949095

GRADE & PURITY ≥98%(T)

Synonyms

AKOS015832931 | AS-80179 | P1239 | 3,4-DIHYDRO-2H-1,4-BENZOXAZINE-2-CARBOXYLICACID | Iodonium, phenyl[2-(trimethylsilyl)ethynyl]-, tetrafluoroborate(1-) (1:1) | phenyl(2-trimethylsilylethynyl)iodanium;tetrafluoroborate | trimethylsilylethynyl(phenyl)iodon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS015832931 | AS-80179 | P1239 | 3, 4-DIHYDRO-2H-1, 4-BENZOXAZINE-2-CARBOXYLICACID | Iodonium, phenyl[2-(trimethylsilyl)ethynyl]-, tetrafluoroborate(1-) (1:1) | phenyl(2-trimethylsilylethynyl)iodanium;tetrafluoroborate | trimethylsilylethynyl(phenyl)iodon

Specifications & Purity

≥98%(T)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(T)

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C[Si](C)(C)C#C[I+]C1=CC=CC=C1
• IUPAC Name: phenyl(2-trimethylsilylethynyl)iodanium;tetrafluoroborate
• InChIKey: QHLUVBBDXOGLSV-UHFFFAOYSA-N
• INCHI: 1S/C11H14ISi.BF4/c1-13(2,3)10-9-12-11-7-5-4-6-8-11;2-1(3,4)5/h4-8H,1-3H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.C[Si](C)(C)C#C[I+]C1=CC=CC=C1
• PubChem CID: 10949095
• Molecular Weight: 388.03
• Reaxy-Rn: 3580345

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Aryl iodides Trialkylsilanes Organic metalloid salts Haloacetylenes and derivatives Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Aryl iodide - Aryl halide - Trialkylsilane - Haloacetylene or derivatives - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Moisture Sensitive,Heat Sensitive
• Molecular Weight: 388.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 387.994 Da
• Monoisotopic Mass: 387.994 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 228.000
• 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: 2

XLogP3