1-[(Trimethylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one - ≥95% , CAS No.181934-29-2

CAS: 181934-29-2 Cat. No.: T161694 Peso molecular: 344.22 Número EC: 833-835-1 PubChem CID: 10641155

GRADE & PURITY ≥95%

Synonyms

T71964 | 1-((Trimethylsilyl)ethynyl)-1l3-benzo[d][1,2]iodaoxol-3(1H)-one | 1-[(Trimethylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one | T3272 | SY056203 | 1-[2-(trimethylsilyl)ethynyl]-3H-1,2-benziodaoxol-3-one | 1-(2-trimethylsilylethynyl)-1lambda3,2-benziodo

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

T71964 | 1-((Trimethylsilyl)ethynyl)-1l3-benzo[d][1, 2]iodaoxol-3(1H)-one | 1-[(Trimethylsilyl)ethynyl]-1, 2-benziodoxol-3(1H)-one | T3272 | SY056203 | 1-[2-(trimethylsilyl)ethynyl]-3H-1, 2-benziodaoxol-3-one | 1-(2-trimethylsilylethynyl)-1lambda3, 2-benziodo

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C[Si](C)(C)C#CI1C2=CC=CC=C2C(=O)O1
• IUPAC Name: 1-(2-trimethylsilylethynyl)-1λ3,2-benziodoxol-3-one
• InChIKey: KUCCHAADRXRBFZ-UHFFFAOYSA-N
• INCHI: 1S/C12H13IO2Si/c1-16(2,3)9-8-13-11-7-5-4-6-10(11)12(14)15-13/h4-7H,1-3H3
• Isómeros SMILES: C[Si](C)(C)C#CI1C2=CC=CC=C2C(=O)O1
• PubChem CID: 10641155
• Peso molecular: 344.22
• Reaxy-Rn: 7707098

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Aryl halides
      • Subclass Aryl iodides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Aryl halides
• Subclass: Aryl iodides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl iodides
• Alternative Parents: Benzenoids Trialkylsilanes Carboxylic acid salts Oxacyclic compounds Organic metalloid salts Monocarboxylic acids and derivatives Haloacetylenes and derivatives Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Aryl iodide - Trialkylsilane - Carboxylic acid salt - Haloacetylene or derivatives - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organosilicon compound - Alkylsilane - Organooxygen compound - Organoiodide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl iodides. These are organic compounds containing the acyl iodide functional group.
• 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

Propiedades químicas y físicas

• Sensibilidad: light & heat & air sensitive
• Punto de fusión (°C): 140 °C(dec.)
• Peso molecular: 344.220 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 343.973 Da
• Monoisotopic Mass: 343.973 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 360.000
• 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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