2,7-bis(bromomethyl)-9,9-dihexyl-9H-fluorene

• ChemBase ID: 142811
• Molecular Formular: C27H36Br2
• Molecular Mass: 520.38274
• Monoisotopic Mass: 518.11837515
• SMILES: CCCCCCC1(c2cc(ccc2c2c1cc(cc2)CBr)CBr)CCCCCC
• Canonical SMILES: CCCCCCC1(CCCCCC)c2cc(CBr)ccc2c2c1cc(CBr)cc2
• InChI: InChI=1S/C27H36Br2/c1-3-5-7-9-15-27(16-10-8-6-4-2)25-17-21(19-28)11-13-23(25)24-14-12-22(20-29)18-26(24)27/h11-14,17-18H,3-10,15-16,19-20H2,1-2H3
• InChIKey: SVNIUQSXMPTBFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-bis(bromomethyl)-9,9-dihexyl-9H-fluorene
• IUPAC Traditional name: 2,7-bis(bromomethyl)-9,9-dihexylfluorene
• Synonyms: 2,7-Bis(bromomethyl)-9,9-dihexyl-9H-fluorene; 2,7-双(溴甲基)-9,9-二己基-9H-芴

Database IDs

• CAS Number: 187148-75-0
• MDL Number: MFCD07784372
• PubChem SID: 162237037; 24883710
• PubChem CID: 16217884

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.317247
• LogD (pH = 7.4): 10.317247
• Log P: 10.317247
• Molar Refractivity: 146.1023 cm^3
• Polarizability: 53.189312 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 39-43 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C27H36Br2

DETAILS

Sigma Aldrich - 656240

Application
A monomer for blue-green light emitting polymers
Packaging
1 g in glass bottle