2,7-diiodo-9H-fluorene

• ChemBase ID: 151358
• Molecular Formular: C13H8I2
• Molecular Mass: 418.01156
• Monoisotopic Mass: 417.87154626
• SMILES: c1cc2c(cc1I)Cc1c2ccc(c1)I
• Canonical SMILES: Ic1ccc2c(c1)Cc1c2ccc(c1)I
• InChI: InChI=1S/C13H8I2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2
• InChIKey: YCWGCTPMBCOCLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-diiodo-9H-fluorene
• IUPAC Traditional name: 2,7-diiodo-9H-fluorene
• Synonyms: 2,7-Diiodofluorene; 2,7-二碘芴

Database IDs

• CAS Number: 16218-28-3
• MDL Number: MFCD00040153
• PubChem SID: 24878922; 162245512
• PubChem CID: 634493

CALCULATED PROPERTIES

• Acid pKa: 17.342632
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5969086
• LogD (pH = 7.4): 5.5969086
• Log P: 5.5969086
• Molar Refractivity: 81.5984 cm^3
• Polarizability: 32.44472 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 216-218 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C13H8I2

DETAILS

Sigma Aldrich - 546771

Packaging
1 g in glass bottle