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

• ChemBase ID: 67288
• Molecular Formular: C25H12Br4
• Molecular Mass: 631.97878
• Monoisotopic Mass: 627.76724838
• SMILES: C12(c3cc(ccc3c3ccc(cc13)Br)Br)c1cc(ccc1c1ccc(cc21)Br)Br
• Canonical SMILES: Brc1ccc2c(c1)C1(c3c2ccc(c3)Br)c2cc(Br)ccc2c2c1cc(Br)cc2
• InChI: InChI=1S/C25H12Br4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H
• InChIKey: MASXXNUEJVMYML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]
• IUPAC Traditional name: 2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]
• Synonyms: 2,2',7,7'-Tetrabromo-9,9'-spirobifluorene

Database IDs

• CAS Number: 128055-74-3
• MDL Number: MFCD08704220
• PubChem SID: 162033024
• PubChem CID: 371282

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.342684
• LogD (pH = 7.4): 9.342684
• Log P: 9.342684
• Molar Refractivity: 133.6565 cm^3
• Polarizability: 53.052265 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%