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

Structure

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

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