1-iodo-4-(4-iodophenoxy)benzene

• ChemBase ID: 8787
• Molecular Formular: C12H8I2O
• Molecular Mass: 422.00026
• Monoisotopic Mass: 421.86646088
• SMILES: c1c(ccc(c1)Oc1ccc(cc1)I)I
• Canonical SMILES: Ic1ccc(cc1)Oc1ccc(cc1)I
• InChI: InChI=1S/C12H8I2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
• InChIKey: VHEGXFQQYZIMMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-iodo-4-(4-iodophenoxy)benzene
• IUPAC Traditional name: 1-iodo-4-(4-iodophenoxy)benzene
• Synonyms: 4-Iodophenyl ether

Database IDs

• CAS Number: 28896-49-3
• MDL Number: MFCD00060667
• PubChem SID: 160972094
• PubChem CID: 34360

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.331422
• LogD (pH = 7.4): 5.331422
• Log P: 5.331422
• Molar Refractivity: 79.0238 cm^3
• Polarizability: 31.016327 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 144-146°C

Safety Information

• TSCA Listed: false

Product Information

• Purity: 98%