dichloro(phenyl)-$l^{3}-iodane

• ChemBase ID: 91434
• Molecular Formular: C6H5Cl2I
• Molecular Mass: 274.91437
• Monoisotopic Mass: 273.88130352
• SMILES: [I](c1ccccc1)(Cl)Cl
• Canonical SMILES: Cl[I](c1ccccc1)Cl
• InChI: InChI=1S/C6H5Cl2I/c7-9(8)6-4-2-1-3-5-6/h1-5H
• InChIKey: KSRHWBLHVZJTKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(phenyl)-$l^{3}-iodane; dichloro(phenyl)-λ^3-iodane
• IUPAC Traditional name: iodobenzene dichloride; dichloro(phenyl)-λ^3-iodane
• Synonyms: Iodobenzene dichloride; Iodosobenzene dichloride; Phenyliodine(III) dichloride; Phenyliodo dichloride; Phenyliodoso chloride; Phenylchloroiodonium chloride; Dichloroiodobenzene; Iododichlorobenzene

Database IDs

• CAS Number: 932-72-9
• MDL Number: MFCD00009608
• PubChem SID: 162078133
• PubChem CID: 288571
• Wikipedia Title: Iodobenzene_dichloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4239106
• LogD (pH = 7.4): 3.4239106
• Log P: 3.4239106
• Molar Refractivity: 51.0877 cm^3
• Polarizability: 20.32267 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow solid
• Melting Point: 115–120 °C (dec.)
• Density: 2.2 g/cm^3

Safety Information

• Storage Warning: Irritant