1,4-dibromo-2,5-diiodobenzene

• ChemBase ID: 90202
• Molecular Formular: C6H2Br2I2
• Molecular Mass: 487.69702
• Monoisotopic Mass: 485.66127006
• SMILES: Brc1c(cc(c(c1)I)Br)I
• Canonical SMILES: Brc1cc(I)c(cc1I)Br
• InChI: InChI=1S/C6H2Br2I2/c7-3-1-5(9)4(8)2-6(3)10/h1-2H
• InChIKey: IVKPEQAIHJWGGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2,5-diiodobenzene
• IUPAC Traditional name: 1,4-dibromo-2,5-diiodobenzene
• Synonyms: 1,4-Dibromo-2,5-diiodobenzene; 1,4-Dibromo-2,5-diiodobenzene 99%

Database IDs

• CAS Number: 63262-06-6
• MDL Number: MFCD00082898
• PubChem SID: 162077040
• PubChem CID: 11123771

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.36864
• LogD (pH = 7.4): 5.36864
• Log P: 5.36864
• Molar Refractivity: 68.0286 cm^3
• Polarizability: 27.414446 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 167°C

Safety Information

• Storage Warning: Irritant/Light Sensitive/Keep Cold

Product Information

• Purity: 98%