Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate - electronic grade, ≥99% , CAS No.194999-85-4

CAS: 194999-85-4 Cat. No.: B476350 Molecular Weight: 692.42 EC Number: 432-660-4 PubChem CID: 16216933

GRADE & PURITY Electronic grade, ≥99%

Synonyms

Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate | DJBAOXYQCAKLPH-UHFFFAOYSA-M | Bis(4-tert-butylphenyl)iodonium Nonafluoro-1-butanesulfonate | Di(4-tert-butylphenyl)iodonium perfluorobutanesulfonate | DTXSID10584184 | MFCD02683473 | BIS(4-TERT

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

Description

Cationic photoinitiator. Photoacid generator.

Specifications

Synonyms

Bis(4-tert-butylphenyl)iodonium perfluoro-1-butanesulfonate | DJBAOXYQCAKLPH-UHFFFAOYSA-M | Bis(4-tert-butylphenyl)iodonium Nonafluoro-1-butanesulfonate | Di(4-tert-butylphenyl)iodonium perfluorobutanesulfonate | DTXSID10584184 | MFCD02683473 | BIS(4-TERT

Specifications & Purity

electronic grade, ≥99%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Grade

Electronic grade

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488199209
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199209
• Canonical Smiles: CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
• IUPAC Name: bis(4-tert-butylphenyl)iodanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• InChIKey: DJBAOXYQCAKLPH-UHFFFAOYSA-M
• INCHI: 1S/C20H26I.C4HF9O3S/c1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h7-14H,1-6H3;(H,14,15,16)/q+1;/p-1
• Isomeric SMILES: CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F
• PubChem CID: 16216933
• Molecular Weight: 692.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Alkyl halides
      • Subclass Alkyl fluorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Perfluoroalkyl sulfonic acid and derivatives
• Alternative Parents: Phenylpropanes Iodobenzenes Aryl iodides Sulfonyls Organosulfonic acids Alkanesulfonic acids Organoiodides Organofluorides Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Perfluoroalkyl sulfonic acid or derivatives - Phenylpropane - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Alkanesulfonic acid - Hydrocarbon derivative - Organosulfur compound - Organoiodide - Organofluoride - Organic oxide - Organic oxygen compound - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as perfluoroalkyl sulfonic acid and derivatives. These are organic compounds containing an alkyl chain attached to the sulfur of a sulfonic acid group (or a derivative thereof), where all hydrogens of the alkyl chain are replaced by fluorine atoms.
• 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

• Solubility: PGMEA: ~40%ethyl lactate: ~55%γ-butyrolactone: ~65%
• Sensitivity: Moisture sensitive；Light sensitive；Air sensitive
• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Melt Point(°C): 175-177℃ (lit.)
• Molecular Weight: 692.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 692.05 Da
• Monoisotopic Mass: 692.05 Da
• Topological Polar Surface Area: 65.600 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 646.000
• 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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