2,7-dibromo-9,9'-spirobi[fluorene]

• ChemBase ID: 70664
• Molecular Formular: C25H14Br2
• Molecular Mass: 474.18666
• Monoisotopic Mass: 471.94622445
• SMILES: C12(c3cc(ccc3c3ccc(cc13)Br)Br)c1ccccc1c1ccccc21
• Canonical SMILES: Brc1ccc2c(c1)C1(c3ccccc3c3c1cccc3)c1c2ccc(c1)Br
• InChI: InChI=1S/C25H14Br2/c26-15-9-11-19-20-12-10-16(27)14-24(20)25(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H
• InChIKey: UPJLZKCEPFAKSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dibromo-9,9'-spirobi[fluorene]
• IUPAC Traditional name: 2,7-dibromo-9,9'-spirobi[fluorene]
• Synonyms: 2,7-Dibromo-9,9'-spirobifluorene; 2,7-Dibromo-9,9′-spirobifluorene

Database IDs

• CAS Number: 171408-84-7
• MDL Number: MFCD08704218
• PubChem SID: 162036377
• PubChem CID: 15544767

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.805178
• LogD (pH = 7.4): 7.805178
• Log P: 7.805178
• Molar Refractivity: 118.4109 cm^3
• Polarizability: 47.38614 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 334-336 °C

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%
• Empirical Formula (Hill Notation): C25H14Br2

DETAILS

Sigma Aldrich - 738018

Packaging
1, 5 g in glass bottle