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

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Fluorene, Reagent

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Catalog Number

ACM86737-1

CAS Number

86-73-7

Product Name

Fluorene, Reagent

Category

Pressure & Heat Sensitive Recording Materials; Electroluminescence Materials

Description

Fluorene is a white leaflets. Sublimes easily under a vacuum. Fluorescent when impure. (NTP, 1992)

IUPAC Name

9H-fluorene

Molecular Weight

166.22g/mol

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

241 to 243 °F (NTP, 1992);114.8 °C;114.76 °C

Flash Point

151.0 °C (303.8 °F) - closed cup

Density

1.203 at 32 °F (NTP, 1992);1.203 at 0 °C

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

Application

Fluorene, Reagent serves as a crucial component particularly valued for its role in the study and analysis of polycyclic aromatic hydrocarbons (PAHs), which are important due to their presence in fossil fuels and potential as environmental micropollutants. Its pure form is easily recognizable by its dazzling white flakes or small crystalline plates, while its impurity is signaled by fluorescence. This compound, with a molecular weight of 166.23, is known for its moderate boiling point of 293°C and a melting point between 116-117°C. Despite its utility, fluorene exhibits low flammability and health risks, as denoted by its hazard rating, while being insoluble in water, attributes that underscore both its performance in laboratory settings and the careful consideration needed in its handling.

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

EC Number

201-695-5

Exact Mass

166.07825g/mol

Formal Charge

Heat of Vaporization

13,682.8 g cal/g mol

Heavy Atom Count

Log P

4.18 (LogP);log Kow = 4.18

MeSH Entry Terms

9H-fluorene;fluorene

Monoisotopic Mass

166.07825g/mol

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

Rotatable Bond Count

Stability

Stable under recommended storage conditions.

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

XLogP3

4.2

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