CAS 132-64-9 Dibenzofuran - Materials / Alfa Chemistry

NAVIGATION

Dibenzofuran

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Catalog Number

ACM132649

CAS Number

132-64-9

Product Name

Dibenzofuran

Category

Organic Light-Emitting Diode (OLED) Materials

Synonyms

Dibenzo[b,d]furan

Description

Dibenzofuran is a colorless white crystalline solid. (NTP, 1992)

IUPAC Name

dibenzofuran

Molecular Weight

168.19

Molecular Formula

C12H8O

Canonical SMILES

C1=CC=C2C(=C1)C3=CC=CC=C3O2

InChI

InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H

InChI Key

TXCDCPKCNAJMEE-UHFFFAOYSA-N

Boiling Point

549 °F at 760 mm Hg (NTP, 1992);287.0 °C;287 °C @ 760 mm Hg

Melting Point

187 to 189 °F (NTP, 1992);86.5 °C;86.5 °C

Purity

95+%

Density

1.0886 at 210 °F (NTP, 1992);1.0886 @ 99 °C

Solubility

less than 1 mg/mL at 68° F (NTP, 1992);1.84e-05 M;Sol in alcohol and acetone; very soluble in ether;Readily soluble in benzene and acetic acid;In water, 3.1 mg/l @ 25 °C

Application

Dibenzofuran, a white crystalline powder, is utilized primarily for applications in Gas Chromatography (GC) and Liquid Chromatography (LC) analyses, serving as a model substrate in various culture procedures. Structurally, it is an organic heterotricyclic compound, featuring a furan ring bonded to two benzene rings. While used in analytical applications, dibenzofuran is also recognized as an environmental pollutant due to its persistence in the ecosystem, potential for bioaccumulation, and toxicity to both humans and the environment. It is released into the atmosphere during combustion processes and, once adsorbed in soils, it remains highly stable under typical environmental conditions. Given its toxicological profile, dabenzofuran is closely monitored under several regulatory frameworks, including being flagged under the Clean Air Act Amendments of 1990 as a hazardous air pollutant. Moreover, its presence is noted in risk assessments conducted by the Office of Environmental Health Hazard Assessment and is listed on the U.S. Agency for Toxic Substances and Disease Registry priority list, among other national and state-level hazardous substance lists.

Color/Form

LEAF OR NEEDLES FROM ALCOHOL;WHITE CRYSTALS;Crystalline solid

Complexity

170

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

205-071-3

Exact Mass

168.0575

Formal Charge

Heat of Vaporization

66.4 kcal/mol at 130-140 °C

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

4.12 (LogP);log Kow= 4.12

MeSH Entry Terms

dibenzofuran

Monoisotopic Mass

168.0575

NSC Number

1245

Odor

Weak, characteristic odor

Other Experimental

Sublimeable, volatile in steam; dielectric constant = 3.0 at 100 °C;Enthalphy of sublimation = 84.42 kJ/mol;Heat of fusion = 2.27X10+7 J/kmol;Vapor pressure = 0.3310 Pa (2.48X10-3 mm Hg) at 25 °C /Sublimation vapor pressure/;Hydroxyl radical reaction rate constant = 3.90X10-12 cu cm/molecule-sec @ 25 °C

Refractive Index

Index of refraction: 1.6079 @ 99 °C/D

Rotatable Bond Count

Stability

This compound is sensitive to prolonged exposure to light.

Topological Polar Surface Area

13.1 Å²

UNII

8U54U639VI

UN Number

3077;3077

Vapor Density