CAS 86-73-7 Fluorene - Materials / Alfa Chemistry

NAVIGATION

Fluorene

PRICE INQUIRY

Catalog Number

ACM86737

CAS Number

86-73-7

Product Name

Fluorene

Structure

Category

Pressure & Heat Sensitive Recording Materials; Small Molecule Semiconductor Building Blocks; Heat & Pressure Sensitive Dyes

Synonyms

9H-Fluorene

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.

IUPAC Name

9H-fluorene

Molecular Weight

166.22

Molecular Formula

C13H10

Canonical 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

Purity

>95.0%(GC)

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

Defined Atom Stereocenter Count

EC Number

201-695-5

Exact Mass

166.0782

Formal Charge

Hazard Class

Hazard Statements

H410 : Very toxic to aquatic life with long lasting effects.

Heat of Vaporization

13,682.8 g cal/g mol

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

3.25780

MDL Number

MFCD00001111

MeSH Entry Terms

9H-fluorene;fluorene

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

Rotatable Bond Count

Signal Word

Warning

Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Storage Conditions

APPROX 4ºC

Topological Polar Surface Area