Compound: dibenzofuran
SMILES: o1c2c(cccc2)c3c1cccc3
InChIKey: TXCDCPKCNAJMEE-UHFFFAOYSA-N
Synonyms: dibenzofuran, 132-64-9, Dibenzo[b,d]furan, diphenylene oxide, 2,2'-Biphenylene oxide, 2,2'-Biphenylylene oxide, Dibenzo(b,d)furan, Dibenzol(b,d)furan, (1,1'-Biphenyl)-2,2'-diyl oxide, DTXSID2021993, [1,1'-Biphenyl]-2,2'-diyl oxide, 8U54U639VI, NSC-1245, DTXCID801993, CHEBI:28145, RefChem:132850, 205-071-3, Dibenzofurans, dibenzofurane, MFCD00004968, DIBENZO (b,d) FURAN (purity), 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], SCHEMBL5099, SCHEMBL8207, SCHEMBL24762, SCHEMBL25726, SCHEMBL25820, SCHEMBL441446, CHEMBL277497, orb1705745, orb3025687, SCHEMBL1336718, SCHEMBL1336761, SCHEMBL1461411, SCHEMBL5133924, SCHEMBL11525579, SCHEMBL15987660, SCHEMBL16668859, SCHEMBL25356838, SCHEMBL29635704, Dibenzofuran, analytical standard, NSC1245, Tox21_202116, Tox21_300052, BDBM50408362, EBC-03536, SBB060835, STL185574, AKOS000120971, CS-W017802, FD05767, HY-W017086, MSK001048-100M, PS-5378, NCGC00164102-01, NCGC00164102-02, NCGC00164102-03, NCGC00254221-01, NCGC00259665-01, AC-19766, Dibenzofuran D8 10 mug/mL in Cyclohexane, DB-042123, D0147, Dibenzofuran Solution in Methanol, 100ug/mL, NS00010742, ST50824932, EN300-18022, C07729, F044557, Q419513, doi:10.14272/TXCDCPKCNAJMEE-UHFFFAOYSA-N.1, 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
Theoretical properties:
molecular_formula: C12H8O
molecular_weight: 168.19 g/mol
exact_mass: 168.057514874 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 13
topological_polar_surface_area: 13.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: LEAF OR NEEDLES FROM ALCOHOL
color: LEAF OR NEEDLES FROM ALCOHOL
odor: Weak, characteristic odor
boiling_point: 549 °F at 760 mmHg (NTP, 1992)
melting_point: 187 to 189 °F (NTP, 1992)
density: 1.0886 at 210 °F (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
vapor_pressure: 0.00248 [mmHg]
Descriptions:
pubchem: Dibenzofuran is a mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. It has a role as a xenobiotic. It is a mancude organic heterotricyclic parent, a polycyclic heteroarene and a member of dibenzofurans.
chebi: A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings <em>ortho</em>-fused across the 2,3- and 4,5-positions.
chembl: DIBENZOFURAN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dibenzofuran (DBF) is a heterocyclic organic compound with the chemical structure shown at right. It is an aromatic compound that has two benzene rings fused to a central furan ring. All the numbered carbon atoms have a hydrogen atom bonded to each of them. It is a volatile white solid that is soluble in nonpolar organic solvents.  It is obtained from coal tar, where it exists as a 1% component.