2,7-dibromo-9H-fluorene

• ChemBase ID: 8724
• Molecular Formular: C13H8Br2
• Molecular Mass: 324.01062
• Monoisotopic Mass: 321.89927426
• SMILES: c12c3c(Cc1cc(cc2)Br)cc(cc3)Br
• Canonical SMILES: Brc1ccc2c(c1)Cc1c2ccc(c1)Br
• InChI: InChI=1S/C13H8Br2/c14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12/h1-4,6-7H,5H2
• InChIKey: AVXFJPFSWLMKSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dibromo-9H-fluorene
• IUPAC Traditional name: 2,7-dibromo-9H-fluorene
• Synonyms: 2,7-Dibromofluorene; 2,7-Dibromofluorene; 2,7-Dibromo-9H-fluorene; 2,7-二溴芴

Database IDs

• CAS Number: 16433-88-8
• MDL Number: MFCD00019048
• Beilstein Number: 2049205
• PubChem SID: 24861049; 160972031
• PubChem CID: 140073

CALCULATED PROPERTIES

• Acid pKa: 17.314909
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.2765245
• LogD (pH = 7.4): 5.2765245
• Log P: 5.2765245
• Molar Refractivity: 70.119 cm^3
• Polarizability: 27.757202 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 164-166 °C(lit.); 164-166°C; 164-167°C

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: true; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C13H8Br2

DETAILS

Sigma Aldrich - 342297

Application
Used as a template for N-carbazole capped oligofluorenes which show potential as hole-transporting materials for OLEDs.1
Packaging
5, 25 g in glass bottle