Compound: BENZOFURAN
SMILES: o1c2c(cccc2)cc1
InChIKey: IANQTJSKSUMEQM-UHFFFAOYSA-N
Synonyms: BENZOFURAN, 2,3-Benzofuran, 271-89-6, Coumarone, 1-Benzofuran, Benzo[b]furan, Cumarone, Benzofurfuran, Benzo(b)furan, 1-Oxindene, Coumaron, 1-Oxidene, Benzofuran (IUPAC), NCI-C56166, DTXSID6020141, NSC-1255, LK6946W774, DTXCID20141, CHEBI:35260, AT 33852, RefChem:118279, CHEBI:36790, 205-982-6, benzo[b]furane, MFCD00005847, Benzofuran (1mg/mL In Dichloromethane), CHEMBL363614, NCGC00091088-05, Cumaron, CCRIS 2384, HSDB 4173, NSC 1255, EINECS 205-982-6, bezofuran, BRN 0107704, AI3-17613, UNII-LK6946W774, 1-Oxaindene, 1-Benzofuran #, BENZOFURAN [MI], BENZOFURAN [HSDB], BENZOFURAN [IARC], 2,3-Benzofuran, 99%, SCHEMBL2544, SCHEMBL5564, SCHEMBL8767, SCHEMBL18754, SCHEMBL22726, SCHEMBL23008, SCHEMBL23473, SCHEMBL82220, SCHEMBL82831, WLN: T56 BOJ, 5-17-02-00003 (Beilstein Handbook Reference), MLS002454357, SCHEMBL333968, SCHEMBL448291, SCHEMBL448768, SCHEMBL449907, SCHEMBL450390, SCHEMBL450905, SCHEMBL451134, SCHEMBL451270, SCHEMBL451681, SCHEMBL451713, SCHEMBL451886, SCHEMBL452141, SCHEMBL452632, SCHEMBL3160534, SCHEMBL5080818, SCHEMBL8394661, SCHEMBL11479084, SCHEMBL16861352, SCHEMBL29393518, NSC1255, HMS2268K20, Tox21_400054, 2,3-Benzofuran, analytical standard, BDBM50167940, EBC-47553, SBB060607, AKOS000121520, CCG-266071, DB04179, MSK001147-100T, PS-5764, MSK001147-1000T, NCGC00091088-01, NCGC00091088-02, NCGC00091088-03, NCGC00091088-04, NCGC00091088-06, CAS-271-89-6, SMR000112279, Benzofuran Solution in Toluene, 100ug/mL, Coumarone; 2,3-Benzofuran; Benzo[b]furan, Benzofuran Solution in Toluene, 1000ug/mL, DB-047175, B0060, NS00019800, ST51046756, EN300-16607, D88596, F078727, Q410089, Z56347207, InChI=1/C8H6O/c1-2-4-8-7(3-1)5-6-9-8/h1-6
Theoretical properties:
molecular_formula: C8H6O
molecular_weight: 118.13 g/mol
exact_mass: 118.041864811 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 9
topological_polar_surface_area: 13.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Not solid @ -18 °C; oil
color: Not solid @ -18 °C; oil
odor: Aromatic odor
boiling_point: 345 °F at 760 mmHg (NTP, 1992)
melting_point: less than -0.4 °F (NTP, 1992)
density: 1.078 at 59 °F (NTP, 1992) - Denser than water; will sink
solubility: 0.1 to 1 mg/mL at 64 °F (NTP, 1992)
flash_point: 133 °F (NTP, 1992)
vapor_pressure: 14.3 mmHg at 77 °F (NTP, 1992)
Descriptions:
pubchem: Benzofuran can cause cancer according to The National Toxicology Program.
chebi: A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.
chembl: BENZOFURAN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Benzofuran is the heterocyclic compound consisting of fused benzene and furan rings. This colourless liquid is a component of coal tar. Benzofuran is the structural nucleus (parent compound) of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants.
There are benzofuran based herbicides: ethofumesate and benfuresate. Several psychoactive drugs such as 5-MAPB and 6-APB are also derived from benzofuran.