9-Fluorenone

• Catalog Number: ACM486259
• Product Name: 9-Fluorenone
• CAS: 486-25-9
• Category: Heterocyclic Organic Compound
• Synonyms: 9H-Fluoren-9-one
• IUPAC Name: fluoren-9-one
• Molecular Weight: 180.20
• Molecular Formula: C13H8O
• Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2=O
• InChI: InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
• InChI Key: YLQWCDOCJODRMT-UHFFFAOYSA-N
• Boiling Point: 341.5 °C;341.5 °C @ 760 MM HG
• Melting Point: 84.0 °C;84 °C
• Flash Point: 163°C
• Density: 1.1300 @ 99 °C/4 °C
• Solubility: INSOL IN WATER; SOL IN ALCOHOL, ACETONE, BENZENE; VERY SOL IN ETHER, TOLUENE, HOT BENZENE;Insoluble in water. Soluble in oxygenated and aromatic solvents
• Color/Form: YELLOW RHOMBIC BIPYRAMIDAL CRYSTALS FROM ALCOHOL, BENZENE-PETROLEUM ETHER
• Complexity: 222
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• EC Number: 207-630-7
• Exact Mass: 180.0575
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 3.58 (LogP);Log Kow = 3.58
• Monoisotopic Mass: 180.0575
• NSC Number: 5181
• Refractive Index: INDEX OF REFRACTION: 1.6369 @ 99 °C/D; SADTLER REFERENCE NUMBER: 7390 (IR, PRISM); MAX ABSORPTION (DIOXANE): 258 NM (LOG E= 4.90), 294 NM (LOG E= 3.62), 328 NM (LOG E= 2.89), 378 NM (LOG E= 2.43)
• Rotatable Bond Count: 0
• Safety Description: 24/25-36/37/39-27-26
• Topological Polar Surface Area: 17.1 Ų
• UNII: AZ9T83S2AQ
• XLogP3: 3.6