1,2,4,5-tetraiodobenzene

• ChemBase ID: 15981
• Molecular Formular: C6H2I4
• Molecular Mass: 581.69796
• Monoisotopic Mass: 581.63354206
• SMILES: c1(c(cc(c(c1)I)I)I)I
• Canonical SMILES: Ic1cc(I)c(cc1I)I
• InChI: InChI=1S/C6H2I4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H
• InChIKey: QHODZFPKHGDLOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,5-tetraiodobenzene
• IUPAC Traditional name: 1,2,4,5-tetraiodobenzene
• Synonyms: 1,2,4,5-Tetraiodobenzene

Database IDs

• CAS Number: 636-31-7
• MDL Number: MFCD02684763
• PubChem SID: 160979288
• PubChem CID: 12488

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6890235
• LogD (pH = 7.4): 5.6890235
• Log P: 5.6890235
• Molar Refractivity: 79.508 cm^3
• Polarizability: 32.198925 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%