P-toluenosulfonato de difeniliodonio - ≥97% , CAS No.6293-66-9

CAS: 6293-66-9 Cat. No.: D345275 Peso molecular: 452.31 PubChem CID: 22723

GRADE & PURITY ≥97%

Synonyms

diphenyliodanium;4-methylbenzenesulfonate | WLN: WSO&R D1 &R-I-R | IODONIUM, DIPHENYL-, p-TOLUENESULFONATE | DPIpTS | Diphenyliodonium 4-methylbenzenesulfonate | AKOS015889562 | DTXSID90212135 | Iodonium, diphenyl-, 4-methylbenzenesulfonate | SCHEMBL52309

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

El p-toluenosulfonato de difeniliodonio es un fotoiniciador catiónico y generador de fotoácidos utilizado en la ciencia de los polímeros, la impresión por contacto y las monocapas autoensamblables (SAM). Se ha demostrado que arila el naftaleno y otros arenos insesgados.

Specifications

Sinónimos

diphenyliodanium;4-methylbenzenesulfonate | WLN: WSO&R D1 &R-I-R | IODONIUM, DIPHENYL-, p-TOLUENESULFONATE | DPIpTS | Diphenyliodonium 4-methylbenzenesulfonate | AKOS015889562 | DTXSID90212135 | Iodonium, diphenyl-, 4-methylbenzenesulfonate | SCHEMBL52309

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2
• IUPAC Name: diphenyliodanium;4-methylbenzenesulfonate
• InChIKey: UMIKAXKFQJWKCV-UHFFFAOYSA-M
• INCHI: 1S/C12H10I.C7H8O3S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6-2-4-7(5-3-6)11(8,9)10/h1-10H;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2
• PubChem CID: 22723
• Peso molecular: 452.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Methylbenzenesulfonates
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Iodobenzenes Aryl iodides Sulfonyls Organosulfonic acids Organoiodides Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Halobenzene - Iodobenzene - Toluene - Aryl iodide - Aryl halide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfur compound - Organoiodide - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
• 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 sensitive; air sensitive
• Punto de fusión (°C): 188 - 191 °C
• Peso molecular: 452.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 451.994 Da
• Monoisotopic Mass: 451.994 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 309.000
• 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

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