Iodobenzene diacetate(DIB) - ≥98% , CAS No.3240-34-4

CAS: 3240-34-4 Cat. No.: D106797 Molecular Weight: 322.1 Beilstein Registry Number: 1879369 EC Number: 221-808-1 PubChem CID: 76724

GRADE & PURITY ≥98%

Synonyms

PIDA | (ACETYLOXY)(PHENYL)-LAMBDA(3)-IODANYL ACETATE | NSC 23801 | Phenyliodosyl diacetate | Q64Q9N6Q6O | Ethanol, 2-(benzylmethylamino)- | WLN: 1VO-I-R &OV1 &5/10 | Benzene, iodoso-, diacetate | Suconox-4 | Acetamide, N-[(phenylamino)carbonyl]- | Phenyli

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Stoichiometric oxidant in the TEMPO oxidation of nerol to neral. Oxidant employed in the rhodium-catalyzed aziridination of olefins with sulfamate esters. Unactivated sp3 C-H bonds of both oxime and pyridine substrates undergo highly regio- and chemoselective Pd(II)-catalyzed oxygenation with PhI(OAc)2 as a stoichiometric oxidant. Used in the room temperature Pd-catalyzed 2-arylation of indoles Useful reagent for the synthesis of a wide variety of heterocyclic compounds.

Specifications

Synonyms

PIDA | (ACETYLOXY)(PHENYL)-LAMBDA(3)-IODANYL ACETATE | NSC 23801 | Phenyliodosyl diacetate | Q64Q9N6Q6O | Ethanol, 2-(benzylmethylamino)- | WLN: 1VO-I-R &OV1 &5/10 | Benzene, iodoso-, diacetate | Suconox-4 | Acetamide, N-[(phenylamino)carbonyl]- | Phenyli

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185320
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185320
• Canonical Smiles: CC(=O)OI(C1=CC=CC=C1)OC(=O)C
• IUPAC Name: [acetyloxy(phenyl)-λ3-iodanyl] acetate
• InChIKey: ZBIKORITPGTTGI-UHFFFAOYSA-N
• INCHI: 1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3
• Isomeric SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C
• WGK Germany: 3
• RTECS: DA3525000
• PubChem CID: 76724
• Molecular Weight: 322.1
• Beilstein: 1879369
• Reaxy-Rn: 1879369

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: Dicarboxylic acids and derivatives Aryl iodides Acetate salts Organoiodides Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Iodobenzene - Aryl halide - Aryl iodide - Dicarboxylic acid or derivatives - Acetate salt - Carboxylic acid salt - Carboxylic acid derivative - Organohalogen compound - Organooxygen compound - Organic salt - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organoiodide - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water. Solubility in Methanol almost transparency.
• Sensitivity: light sensitive; Moisture sensitive
• Melt Point(°C): 161-165°C
• Molecular Weight: 322.100 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 321.97 Da
• Monoisotopic Mass: 321.97 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 220.000
• 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

References

1. Xiaolei Ren, Jinwu Bai, Xingxing Gu, Hui Xu, Bochuan Tan, Shenying Xu, Jiangyu Hao, Fang Gao, Xin Li.  (2022)  Insight into the anti-corrosion performance of three imidazo-pyridazines for Al alloy in different concentrations of hydrochloric acid solutions.  JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY,      [PMID:] [10.1016/j.jiec.2022.06.008]

2. Guangyu Xu, Qi Chen, Caijuan lu, Luxin Huang, Zhengfeng Hu, Muqing Qiu.  (2025)  Constructing crosslinked architecture in conjugated microporous polymers for highly efficient uranium (VI) photoreduction.  DALTON TRANSACTIONS,      [PMID:41369033] [10.1039/D5DT02520F]