2-fluoro-1,4-diiodobenzene

• ChemBase ID: 8883
• Molecular Formular: C6H3FI2
• Molecular Mass: 347.8953632
• Monoisotopic Mass: 347.83082432
• SMILES: c1(ccc(c(c1)F)I)I
• Canonical SMILES: Ic1ccc(c(c1)F)I
• InChI: InChI=1S/C6H3FI2/c7-5-3-4(8)1-2-6(5)9/h1-3H
• InChIKey: IQTKOCIDYDYDSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-1,4-diiodobenzene
• IUPAC Traditional name: 2-fluoro-1,4-diiodobenzene
• Synonyms: 2,5-Diiodofluorobenzene; 2,5-Diiodofluorobenzene; 1,4-Diiodo-2-fluorobenzene 99%; 2-Fluoro-1,4-diiodobenzene

Database IDs

• CAS Number: 147808-02-4
• MDL Number: MFCD00061107
• PubChem SID: 160972190
• PubChem CID: 2737096

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9738367
• LogD (pH = 7.4): 3.9738367
• Log P: 3.9738367
• Molar Refractivity: 52.9994 cm^3
• Polarizability: 20.911205 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-71°C
• Boiling Point: 135°C/20mm

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 98%; 99%