Fluorene

• CAS: 86-73-7
• Catalog Number: ACM86737
• Category: Arenes
• Molecular Weight: 166.22
• Molecular Formula: C13H10
• Description: Fluorene , or 9H-fluorene, is a polycyclic aromatic hydrocarbon. It forms White crystals that exhibit a characteristic, aromatic odor similar to that of naphthalene. It is combustible. It has a violet fluorescence, hence its name. For commercial purposes it is obtained from coal tar. It is insoluble in water and soluble in many organic solvents.
• Synonyms: 9H-Fluorene
• IUPAC Name: 9H-fluorene
• SMILES: C1C2=CC=CC=C2C3=CC=CC=C31
• InChI: InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
• InChI Key: NIHNNTQXNPWCJQ-UHFFFAOYSA-N
• Boiling Point: 563 °F at 760 mm Hg (NTP, 1992);295.0 °C;294 °C
• Melting Point: 112-116ºC
• Flash Point: 151ºC
• Density: 1.203
• Solubility: Insoluble. (1.7mg/kg) (NTP, 1992);1.14e-05 M;In water, 1.69 mg/L at 25 °C;Insoluble in water;Freely soluble in glacial acetic acid; soluble in hot alcohol;Slightly soluble in ethanol; soluble in ethyl ether, acetone, benzene, carbon disulfide;Soluble in carbon tetrachloride, toluene, glacial acetic acid, pyridine; very soluble in methanol;Soluble in acetone
• Appearance: White flakes
• Application: Fluorene serves as a vital component in various industrial applications, particularly due to its structure as an ortho-fused tricyclic hydrocarbon and its role within the group of polycyclic aromatic hydrocarbons (PAHs). These compounds are characterized by multiple benzene rings and are integral to the composition of fossil fuels and their derivatives. In its pure form, fluorene appears as bright white flakes or small, crystalline plates, whereas impure forms exhibit fluorescence. It is valued not only for its physical characteristics but also for its chemical stability, given its molecular weight of 166.23 and a boiling point of 293°C (at which it decomposes), along with a melting point range of 116-117°C. While essentially insoluble in water, its modest reactivity and flammability ratings, based on the NFPA-704 M Rating System, denote its relative safety in handling, with health and flammability both rated at 1 and reactivity at 0. This makes fluorene a practical material for use in diverse industrial sectors requiring stable aromatic compounds.
• Color/Form: Leaflets from alcohol;Dazzling white leaflets or flakes from alcohol;Small, white, crystalline plates; fluorescent when impure
• Complexity: 165
• Covalently-Bonded Unit Count: 1
• Decomposition: Hazardous decomposition products formed under fire conditions - Carbon oxides.
• Defined Atom Stereocenter Count: 0
• EC Number: 201-695-5
• Exact Mass: 166.0782
• Formal Charge: 0
• Hazard Codes: Xi; Xn; T; F; N
• Hazard Statements: H410 : Very toxic to aquatic life with long lasting effects.
• H-Bond Acceptor: 0
• H-Bond Donor: 0
• Heat of Vaporization: 13,682.8 g cal/g mol
• Heavy Atom Count: 13
• HS Code: 2902909090
• Hydrogen Bond Acceptor Count: 0
• Hydrogen Bond Donor Count: 0
• Isotope Atom Count: 0
• LogP: 3.25780
• MDL Number: MFCD00001111
• Monoisotopic Mass: 166.0782
• NSC Number: 6787
• Other Experimental: MP: 116-117 °C;BP: 295 °C (sublimes);Sublimes easily in high vacuum;Photo oxidation by UV in aqueous medium at 90-95 °C: time for the formation of CO2 (% of theoretical): 25%: 75.3 hr; 50%: 160.6 hr; 75%: 297.4 hr.;Henry's Law constant = 9.62X10-5 atm-cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 1.30X10-11 cu cm/molec-sec at 25 °C
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P391 : Collect spillage.
• Refractive Index: 1.645
• RIDADR: UN 3077
• Rotatable Bond Count: 0
• Signal Word: Warning
• Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
• Storage Conditions: APPROX 4ºC
• Symbol: GHS07
• Topological Polar Surface Area: 0 Ų
• UNII: 3Q2UY0968A
• UN Number: 3077
• Vapor Pressure: 10 mm Hg at 294.8 °F (NTP, 1992);6.00e-04 mmHg;6.0X10-4 mm Hg at 25 °C
• WGK Germany: 3
• XLogP3: 4.2
• XLogP3-AA: 4.2

Custom Q&A

What is the molecular formula of fluorene?

The molecular formula of fluorene is C13H10.

What is the molecular weight of fluorene?

The molecular weight of fluorene is 166.22 g/mol.

What is the IUPAC name of fluorene?

The IUPAC name of fluorene is 9H-fluorene.

What is the InChI of fluorene?

The InChI of fluorene is InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2.

What is the InChIKey of fluorene?

The InChIKey of fluorene is NIHNNTQXNPWCJQ-UHFFFAOYSA-N.

What is the canonical SMILES of fluorene?

The canonical SMILES of fluorene is C1C2=CC=CC=C2C3=CC=CC=C31.

What is the CAS number of fluorene?

The CAS number of fluorene is 86-73-7.

What is another identifier for fluorene?

Another identifier for fluorene is UNII: 3Q2UY0968A.

What is the ChEMBL ID for fluorene?

The ChEMBL ID for fluorene is CHEMBL16236.

What is the Wikipedia page for fluorene?

The Wikipedia page for fluorene is "Fluorene".