9-bromo-9H-fluorene

• ChemBase ID: 120443
• Molecular Formular: C13H9Br
• Molecular Mass: 245.11456
• Monoisotopic Mass: 243.98876229
• SMILES: c12c3c(C(c1cccc2)Br)cccc3
• Canonical SMILES: BrC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H9Br/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H
• InChIKey: AHCDKANCCBEQJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-bromo-9H-fluorene
• IUPAC Traditional name: fluorene, 9-bromo-
• Synonyms: 9-bromo-9H-fluorene; 9-Bromofluorene; 9-溴芴

Database IDs

• CAS Number: 1940-57-4
• EC Number: 217-722-9
• MDL Number: MFCD00001133
• Beilstein Number: 2047220
• PubChem SID: 24891929; 162214796
• PubChem CID: 16024

CALCULATED PROPERTIES

• Acid pKa: 17.680483
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.204203
• LogD (pH = 7.4): 4.204203
• Log P: 4.204203
• Molar Refractivity: 62.2694 cm^3
• Polarizability: 24.924534 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-104 °C(lit.); 101-105°C

Safety Information

• RTECS: LL5890000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759; UN3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Purity: 98%; 98+%
• Empirical Formula (Hill Notation): C13H9Br

DETAILS

Sigma Aldrich - B66604

Packaging
10, 25 g in glass bottle