Results for:
chemical Classification: benzofuran derivatives

Dibenzofuran

Compound Details

Synonymous names
dibenzofuran
Dibenzo[b,d]furan
132-64-9
diphenylene oxide
Dibenzofurans
2,2'-Biphenylene oxide
2,2'-Biphenylylene oxide
Dibenzo(b,d)furan
dibenzofurane
(1,1'-Biphenyl)-2,2'-diyl oxide
[1,1'-Biphenyl]-2,2'-diyl oxide
DTXSID2021993
CHEBI:28145
8U54U639VI
NSC-1245
Dibenzol(b,d)furan
DTXCID801993
CAS-132-64-9
CCRIS 1436
HSDB 2163
NSC 1245
EINECS 205-071-3
UNII-8U54U639VI
AI3-00039
dibenzo[bd]furan
Dibenzofuran, 98%
[1,2'-diyl oxide
DIBENZOFURAN [MI]
bmse000548
DIBENZOFURAN [HSDB]
SCHEMBL8207
CHEMBL277497
Dibenzofuran, analytical standard
NSC1245
DIBENZO (b,d) FURAN (purity)
Tox21_202116
Tox21_300052
BDBM50408362
MFCD00004968
STL185574
AKOS000120971
CS-W017802
HY-W017086
MCULE-9430669072
PS-5378
NCGC00164102-01
NCGC00164102-02
NCGC00164102-03
NCGC00254221-01
NCGC00259665-01
AC-19766
Dibenzofuran D8 10 mug/mL in Cyclohexane
DB-042123
D0147
NS00010742
EN300-18022
C07729
Q419513
Q-101160
Z57127512
Dibenzo[b,d]furan, BCR(R) certified Reference Material
8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8
1IT
Microorganism:

Yes

IUPAC namedibenzofuran
SMILESC1=CC=C2C(=C1)C3=CC=CC=C3O2
InchiInChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
FormulaC12H8O
PubChem ID568
Molweight168.19
LogP4.1
Atoms13
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids heterocyclic compounds benzofuran derivatives aromatic compounds ethers
CHEBI-ID28145
Supernatural-IDSN0362403

mVOC Specific Details

Boiling Point
DegreeReference
287 °C peer reviewed
Volatilization
The Henry's Law constant for dibenzofuran is estimated as 2.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00248 mm Hg(1), and water solubility, 3.1 mg/l(2). This Henry's Law constant indicates that dibenzofuran is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 5 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 7 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 82 days if adsorption is considered(4). Dibenzofuran's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from moist soil surfaces is expected to be attenuated by adsorption to soil(SRC). Dibenzofuran is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
The Koc of dibenzofuran is estimated as 4,200(SRC), using a log Kow of 4.12(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dibenzofuran is expected to have slight mobility in soil(SRC). Monitoring of dibenzofuran in contaminated groundwater beneath an abandoned creosote facility in Conroe, TX has suggested that leaching of dibenzofuran may be much more important than predicted from estimation methods, although soil from this location had a very low organic content and other co-contaminants present(4). Sorption of creosote compounds (including dibenzofuran) were measured on natural clayey till soil column(5); a Kd of 4.31 l/kg was measured for dibenzofuran (in the presence of other creosote compounds)(5).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADixon et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno