(Diacetoxyiodo)benzene

• CAS: 3240-34-4
• Catalog Number: ACM3240344
• Category: Other Products
• Molecular Weight: 322.098g/mol
• Molecular Formula: C10H11IO4
• Synonyms: CS-W011998; ST24032066; Phenyliodine diacetate; Iodine, bis(acetato-O)phenyl- (9CI); PIDA; bis(acetyloxy)(phenyl)-lambda~3~-iodane; Phenyliodine(III) diacetate; (acetyloxy)(phenyl)- -iodanyl acetate; Phenyliodo diacetate; 240I344
• IUPAC Name: [acetyloxy(phenyl)-λ3-iodanyl] acetate
• SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C
• InChI: InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3
• InChI Key: ZBIKORITPGTTGI-UHFFFAOYSA-N
• Application: (Diacetoxyiodo)benzene is a hypervalent iodine reagent that is used in conjunction with catalytic amount of sodium azide in acetonitrile, which enables oxidative decarboxylation of 2-aryl carboxylic a; ; cid into the corresponding aldehydes, ketones and nitriles.
• Storage: -20°C
• Complexity: 220
• Covalently-Bonded Unit Count: 1
• EC Number: 221-808-1
• Exact Mass: 321.97g/mol
• H-Bond Acceptor: 4
• Heavy Atom Count: 15
• Monoisotopic Mass: 321.97g/mol
• NSC Number: 226375
• Rotatable Bond Count: 5
• Topological Polar Surface Area: 52.6A^2

Custom Q&A

What is the molecular formula of (Diacetoxyiodo)benzene?

The molecular formula of (Diacetoxyiodo)benzene is C10H11IO4.

What is the molecular weight of (Diacetoxyiodo)benzene?

The molecular weight of (Diacetoxyiodo)benzene is 322.10 g/mol.

What is the IUPAC name of (Diacetoxyiodo)benzene?

The IUPAC name of (Diacetoxyiodo)benzene is [acetyloxy(phenyl)-λ3-iodanyl] acetate.

What is the InChI of (Diacetoxyiodo)benzene?

The InChI of (Diacetoxyiodo)benzene is InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3.

What is the InChIKey of (Diacetoxyiodo)benzene?

The InChIKey of (Diacetoxyiodo)benzene is ZBIKORITPGTTGI-UHFFFAOYSA-N.

What is the canonical SMILES of (Diacetoxyiodo)benzene?

The canonical SMILES of (Diacetoxyiodo)benzene is CC(=O)OI(C1=CC=CC=C1)OC(=O)C.

What is the CAS number of (Diacetoxyiodo)benzene?

The CAS number of (Diacetoxyiodo)benzene is 3240-34-4.

What is the ChEMBL ID of (Diacetoxyiodo)benzene?

The ChEMBL ID of (Diacetoxyiodo)benzene is CHEMBL3391738.

What is the XLogP3-AA value of (Diacetoxyiodo)benzene?

The XLogP3-AA value of (Diacetoxyiodo)benzene is 2.8.