1,2,3,4,5-pentabromo-6-[2-(pentabromophenyl)ethyl]benzene

• ChemBase ID: 293966
• Molecular Formular: C14H4Br10
• Molecular Mass: 971.22156
• Monoisotopic Mass: 961.21467013
• SMILES: Brc1c(Br)c(Br)c(Br)c(Br)c1CCc1c(Br)c(Br)c(Br)c(Br)c1Br
• Canonical SMILES: Brc1c(CCc2c(Br)c(Br)c(c(c2Br)Br)Br)c(Br)c(c(c1Br)Br)Br
• InChI: InChI=1S/C14H4Br10/c15-5-3(6(16)10(20)13(23)9(5)19)1-2-4-7(17)11(21)14(24)12(22)8(4)18/h1-2H2
• InChIKey: BZQKBFHEWDPQHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5-pentabromo-6-[2-(pentabromophenyl)ethyl]benzene
• IUPAC Traditional name: 1,2,3,4,5-pentabromo-6-[2-(pentabromophenyl)ethyl]benzene
• Synonyms: 1,2-Bis(perbromophenyl)ethane

Database IDs

• CAS Number: 84852-53-9
• MDL Number: MFCD06407713
• PubChem SID: 180679497
• PubChem CID: 10985889

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.197135
• LogD (pH = 7.4): 12.197135
• Log P: 12.197135
• Molar Refractivity: 136.6242 cm^3
• Polarizability: 54.50214 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 95+%