3-Methoxythiophene - CAS 17573-92-1
Catalog: |
BB013162 |
Product Name: |
3-Methoxythiophene |
CAS: |
17573-92-1 |
Synonyms: |
Thiophene, 3-methoxy-; 3-Methoxythiofuran; Methyl 3-thienyl ether |
IUPAC Name: | 3-methoxythiophene |
Description: | 3-Methoxythiophene (CAS# 17573-92-1) is a heterocyclic building block used for the synthesis of more complex compounds containing Thiophene moiety. It can also be used for the preparation of novel thiophenyl-methylene-9H-fluorene-based low bandgap polymers. |
Molecular Weight: | 114.17 |
Molecular Formula: | C5H6OS |
Canonical SMILES: | COC1=CSC=C1 |
InChI: | InChI=1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3 |
InChI Key: | RFSKGCVUDQRZSD-UHFFFAOYSA-N |
Boiling Point: | 80-82°C at 65 Torr |
Melting Point: | 49-50°C |
Purity: | ≥95% |
Density: | 1.109±0.06 g/cm3 |
Solubility: | Soluble in Diethyl ether, Ligroine |
Appearance: | Colorless to green liquid |
Storage: | Store at 2-8°C under inert atmosphere |
MDL: | MFCD00043894 |
LogP: | 1.75670 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
21633162 | 20110601 | 1-(Thiophen-3-yl)ethanone | Acta crystallographica. Section C, Crystal structure communications |
19788301 | 20091021 | Programmed synthesis of tetraarylthiophenes through sequential C-H arylation | Journal of the American Chemical Society |
18959365 | 20081201 | Selectivity in the oxidative addition of C-S bonds of substituted thiophenes to the (C5Me5)Rh(PMe3) fragment: a comparison of theory with experiment | Inorganic chemistry |
15962942 | 20050601 | Prediction of genotoxicity of chemical compounds by statistical learning methods | Chemical research in toxicology |
Complexity: | 56 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 114.01393598 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 114.01393598 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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