Tetrahydrofuran
PubChem CID: 8028
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| Compound Synonyms | TETRAHYDROFURAN, 109-99-9, Oxolane, Furan, tetrahydro-, Furanidine, Hydrofuran, Tetramethylene oxide, Oxacyclopentane, 1,4-Epoxybutane, Tetrahydrofuranne, Tetraidrofurano, Tetrahydrofuraan, Tetrahydrofurane, Cyclotetramethylene oxide, THF, tetrahydro-furan, Butane, 1,4-epoxy-, Cyclotetramethylene, RCRA waste number U213, 24979-97-3, NCI-C60560, NSC 57858, Butane .alpha.,.delta.-oxide, Butane alpha,delta-oxide, MFCD00005356, 3N8FZZ6PY4, DTXSID1021328, CHEBI:26911, NSC-57858, Tetrahydrofuran, anhydrous, Agrisynth THF, tetrahydofurane, Tetrahydrofuraan [Dutch], Tetraidrofurano [Italian], Butane, alpha,delta-oxide, Tetrahydrofuranne [French], Tetrahydrofuran, Spectrophotometric Grade, CCRIS 6276, HSDB 125, EINECS 203-726-8, UN2056, RCRA waste no. U213, Tetrahydrofuran(Stabilized), UNII-3N8FZZ6PY4, terahydrofuran, terahydrofurane, terahyrofuran, tetrahydofuran, tetrahydorfuran, tetrahyrdofuran, tetrahyrofuran, tetraliydrofuran, tetra hydrofuran, tetra-hydrofuran, tetrahy-drofuran, tetrahydro furan, tetrahydrof uran, tetrahydrofu ran, tetrahydrofura n, tetrahydrofuran-, AI3-07570, tet-rahydrofurane, tetra-hydrofurane, tetrahydro furane, tetrahydro-furane, tetrahydrofurane-, Tetrahydrofuran, contains 250 ppm BHT as inhibitor, ACS reagent, >=99.0%, tetra hydro-furan, tetra- hydrofuran, tetrahydro- furan, Butane a,d-oxide, Butane,4-epoxy-, Dynasolve 150, Tetrahydrofuran ACS, 1,4-epoxy-Butane, c0019, tetrahydrofuran solvent, THF (tetrahydrofuran), Tetrahydrofuran, 99%, Tetrahydrofuran, Biograde, WLN: T5OTJ, EC 203-726-8, TETRAHYDROFURAN [MI], Tetrahydrofuran Ultra LC-MS, Tetrahydrofuran, ACS reagent, Tetrahydrofuran, >=99.5%, TETRAHYDROFURAN [HSDB], TETRAHYDROFURAN [IARC], Tetrahydrofuran, p.a., 99%, CHEMBL276521, DTXCID501328, TETRAHYDROFURAN [USP-RS], Diethylene oxide 1,4-Epoxybutane, Tetrahydrofuran, UV, HPLC Grade, NSC57858, Tetrahydrofuran, analytical standard, Tox21_201026, MSK001504, STL264218, AKOS000119982, UN 2056, Tetrahydrofuran, for HPLC, >=99.9%, NCGC00090740-01, NCGC00090740-02, NCGC00258579-01, BP-30232, CAS-109-99-9, Tetrahydrofuran, anhydrous, inhibitor free, Tetrahydrofuran, purum, >=99.0% (GC), 1ST001504, DB-038044, NS00009145, T0104, T0856, T2394, EN300-21322, Tetrahydrofuran, SAJ first grade, >=99.0%, Tetrahydrofuran, Selectophore(TM), >=99.5%, Tetrahydrofuran [UN2056] [Flammable liquid], Tetrahydrofuran HPLC grade stabilized with BHT, Tetrahydrofuran, JIS special grade, >=99.5%, Tetrahydrofuran, HPLC grade stabilized with BHT, A802124, InChI=1/C4H8O/c1-2-4-5-3-1/h1-4H, Q278332, Tetrahydrofuran, for HPLC, contains No stabilizer, Tetrahydrofuran, inhibitor-free, purification grade, Tetrahydrofuran, puriss. p.a., >=99.9% (GC), Tetrahydrofuran, for luminescence, >=99.5% (GC), Tetrahydrofuran, inhibitor-free, for HPLC, =99.9%, Tetrahydrofuran, anhydrous, >=99.9%, inhibitor-free, Tetrahydrofuran, for HPLC, >=99.9%, inhibitor-free, Tetrahydrofuran, inhibitor-free, for HPLC, >=99.9%, Tetrahydrofuran, anhydrous stabilized, Max. water 20ppm, Tetrahydrofuran, anhydrous stabilized, Max. water 25ppm, Tetrahydrofuran, HPLC grade, >=99.9%, inhibitor-free, Tetrahydrofuran, non-UV, HPLC grade stabilized with BHT, Tetrahydrofuran, for amino acid analysis, without stabilizer, Tetrahydrofuran, p.a., 99%, contains 200-300 ppm BHT, Tetrahydrofuran, anhydrous , stabilized with 250-300 ppm BHT, Tetrahydrofuran, HPLC, UV-IR, isocratic grade, unstabilized, Tetrahydrofuran, anhydrous, inhibitor-free, ZerO2(TM), >=99.9%, Tetrahydrofuran, AR, contains 250 ppm BHT as stabilizer, 99.5%, Tetrahydrofuran, LR, contains 250 ppm BHT as stabilizer, >=99%, Tetrahydrofuran, ACS reagent, >=99.0%, contains 250 ppm BHT as inhibitor, Tetrahydrofuran, anhydrous, >=99.9%, contains 250 ppm BHT as inhibitor, Tetrahydrofuran, anhydrous, contains 250 ppm BHT as inhibitor, >=99.9%, Tetrahydrofuran, anhydrous, contains 250 ppm BHT as stabilizer, >=99.5%, Tetrahydrofuran, UV HPLC spectroscopic, 99.8%, contains 200-300 ppm BHT, Tetrahydrofuran (stabilized with BHT) [Solvent for Determination of Vinyl Chloride Monomer], Tetrahydrofuran, Pharmaceutical Secondary Standard, Certified Reference Material, Tetrahydrofuran, ReagentPlus(R), >=99.0%, contains 250 ppm BHT as inhibitor, FU1, Tetrahydrofuran, absolute, over molecular sieve (H2O <=0.005%), contains ~0.025% 2,6-di-tert-butyl-4-methylphenol as stabilizer, >=99.5% (GC), Tetrahydrofuran, contains 250 ppm BHT as inhibitor, puriss. p.a., ACS reagent, Reag. Ph. Eur., >=99.9%, Tetrahydrofuran, Vetec(TM) reagent grade, anhydrous, contains 100 ppm BHT as inhibitor, >=99.8% |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCC1 |
| Deep Smiles | CCCCO5 |
| Heavy Atom Count | 5.0 |
| Classyfire Class | Tetrahydrofurans |
| Description | Tetrahydrofuran (THF) is a contaminant of exposure and appears in human biofluids. The Food and Drug Administration (FDA) has announced recommendations to revise the permitted daily exposures for THF, and so has the International Conference on Harmonisation. THF oxidizes readily, which can lead to instability and result in cytotoxicity. It is a colourless low-viscosity liquid with a smell similar to diethyl ether and is one of the most polar ethers. Tetrahydrofuran is essentially considered in occupational toxicology, and acute poisoning cases are extremely rare. THF is often used for hydroborations used to synthesize primary alcohols. THF is often used as a solvent for Grignard reagents because of the oxygen atom's ability to coordinate to the magnesium ion component of the Grignard reagent (an organometallic chemical reaction involving alkyl- or aryl-magnesium halides). THF is often used in polymer science. For example, it can be used to dissolve rubber prior to determining its molecular mass using gel permeation chromatography. THF tends to form peroxides on storage in air. (wikipedia, PMID: 16999122, 12742700, 14619948) [HMDB] |
| Scaffold Graph Node Level | C1CCOC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 22.8 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352 |
| Iupac Name | oxolane |
| Class | Oxolanes |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.5 |
| Superclass | Organoheterocyclic compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O |
| Scaffold Graph Node Bond Level | C1CCOC1 |
| Inchi Key | WYURNTSHIVDZCO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| State | Liquid |
| Synonyms | 1,4-epoxy-butane, 1,4-Epoxybutane, Butane a,d-oxide, Butane a,delta-oxide, Butane a,δ-oxide, Butane alpha,delta-oxide, Butane α,δ-oxide, Butylene oxide, Cyclotetramethylene, Cyclotetramethylene oxide, Diethylene oxide, Furanidine, Hydrofuran, Oxacyclopentane, Oxolane, Polytetrahydrofuran, Tetrahydrofuraan, Tetrahydrofuran, Tetrahydrofurane, Tetrahydrofuranne, Tetraidrofurano, Tetramethylene oxide, THF?, THF, 1,4-Epoxy-butane, Butane a,D-oxide, tetrahydro furan, tetrahydrofuran |
| Substituent Name | Oxolane, Oxacycle, Ether, Dialkyl ether, Hydrocarbon derivative, Organooxygen compound, Aliphatic heteromonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | COC |
| Compound Name | Tetrahydrofuran |
| Kingdom | Organic compounds |
| Exact Mass | 72.0575 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 72.0575 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 72.11 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2 |
| Smiles | C1CCOC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Tetrahydrofurans |
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