1,8-diiodonaphthalene

• ChemBase ID: 143488
• Molecular Formular: C10H6I2
• Molecular Mass: 379.96358
• Monoisotopic Mass: 379.85589619
• SMILES: c1cc2cccc(c2c(c1)I)I
• Canonical SMILES: Ic1cccc2c1c(I)ccc2
• InChI: InChI=1S/C10H6I2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
• InChIKey: FURHMGVKKGEGMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-diiodonaphthalene
• IUPAC Traditional name: 1,8-diiodonaphthalene
• Synonyms: 1,8-Diiodonaphthalene

Database IDs

• CAS Number: 1730-04-7
• MDL Number: MFCD00183495
• Beilstein Number: 1865324
• PubChem SID: 162237707
• PubChem CID: 633286

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.8206115
• LogD (pH = 7.4): 4.8206115
• Log P: 4.8206115
• Molar Refractivity: 69.2332 cm^3
• Polarizability: 28.059862 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109-113 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: 22-50/53
• Safety Statements: 60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H410
• GHS Precautionary statements: P273-P501

Product Information

• Purity: ≥98.0% (HPLC)
• Empirical Formula (Hill Notation): C10H6I2