Periodobenzene
[CAS# 608-74-2]

Identification

• Name: Periodobenzene
• Synonyms: P-Iodoanil; Inchi=1/C6i6/C7-1-2(8)4(10)6(12)5(11)3(1)
• Molecular Formula: C₆I₆
• Molecular Weight: 833.49
• CAS Registry Number: 608-74-2
• EINECS: 210-169-4
• SMILES: C1(=C(C(=C(C(=C1I)I)I)I)I)I
• InChI: 1S/C6I6/c7-1-2(8)4(10)6(12)5(11)3(1)9
• InChIKey: QNMKKFHJKJJOMZ-UHFFFAOYSA-N

Properties

• Density: 3.757g/cm³ (Cal.)
• Boiling point: 530.707°C at 760 mmHg (Cal.)
• Flash point: 291.255°C (Cal.)

References

• (1): Kristýna Pluhá?ková, Petr Jure?ka and Pavel Hobza. Stabilisation energy of CH?CX (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levels, Phys. Chem. Chem. Phys., 2007, 9, 755.