1-(9H-fluoren-2-yl)ethan-1-one

• ChemBase ID: 107906
• Molecular Formular: C15H12O
• Molecular Mass: 208.25518
• Monoisotopic Mass: 208.088815
• SMILES: CC(=O)c1ccc2c(Cc3ccccc23)c1
• Canonical SMILES: CC(=O)c1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C15H12O/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8H,9H2,1H3
• InChIKey: IBASEVZORZFIIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(9H-fluoren-2-yl)ethan-1-one
• IUPAC Traditional name: 1-(9H-fluoren-2-yl)ethanone
• Synonyms: 2-Acetylfluorene; 2-ACETYLFLUORENE; 1-(9H-fluoren-2-yl)ethanone; 2-Fluorenyl methyl ketone; 2-乙酰芴; 2-乙酰基芴

Database IDs

• CAS Number: 781-73-7
• EC Number: 212-310-5
• MDL Number: MFCD00001124
• Beilstein Number: 1871711
• PubChem SID: 24890566; 162089116
• PubChem CID: 69908

CALCULATED PROPERTIES

• Acid pKa: 16.028185
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2966669
• LogD (pH = 7.4): 3.2966669
• Log P: 3.2966669
• Molar Refractivity: 65.2762 cm^3
• Polarizability: 26.154703 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127-132°C; 128-129 °C(lit.)
• Flash Point: 217°C(422°F)

Safety Information

• RTECS: OB3800000
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C15H12O

DETAILS

MP Biomedicals - 05205432

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A16203

Packaging
5, 25 g in glass bottle