11H-benzo[b]fluorene

• ChemBase ID: 108533
• Molecular Formular: C17H12
• Molecular Mass: 216.27718
• Monoisotopic Mass: 216.09390038
• SMILES: C1c2ccccc2c2cc3c(cccc3)cc12
• Canonical SMILES: c1ccc2c(c1)c1cc3ccccc3cc1C2
• InChI: InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2
• InChIKey: HAPOJKSPCGLOOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11H-benzo[b]fluorene
• IUPAC Traditional name: benzo(b)fluorene
• Synonyms: 11H-Benzo[b]fluorene; Isonaphthofluorene; 2,3-Benzofluorene; 2,3-BENZOFLUORENE; 11H-Benzo[b]fluorene; 11H-苯并[b]芴; 四甲基茚; 2,3-苯并芴; 11H-苯并[b]芴

Database IDs

• CAS Number: 243-17-4
• EC Number: 205-952-2
• MDL Number: MFCD00003595
• Beilstein Number: 2046365
• PubChem SID: 24847636; 24847577; 162094319
• PubChem CID: 9201

CALCULATED PROPERTIES

• Acid pKa: 16.766228
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.728496
• LogD (pH = 7.4): 4.728496
• Log P: 4.728496
• Molar Refractivity: 71.3236 cm^3
• Polarizability: 30.210297 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209-210°C; 211-213 °C(lit.)

Safety Information

• RTECS: DF6383500
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: R:45
• Safety Statements: S:28-36/37/39-45-53
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0% (HPLC); 98%
• Grade: purum
• Empirical Formula (Hill Notation): C17H12

DETAILS

MP Biomedicals - 05207721

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 123595

Packaging
500 mg in glass bottle