Diphenyliodonium p-toluenesulfonate - ≥97% , CAS No.6293-66-9

CAS: 6293-66-9 Cat. No.: D345275 Molecular Weight: 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

Overview

Diphenyliodonium p-toluenesulfonate is a cationic photoinitiator and photoacid generator used for polymer science, contact printing, and self-assembling monolayers (SAMs). It has been shown to arylate napthalene and other unbiased arenes.

Specifications

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

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC=CC=C2
• PubChem CID: 22723
• Molecular Weight: 452.31

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: light sensitive; air sensitive
• Melt Point(°C): 188 - 191 °C
• Molecular Weight: 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

XLogP3