≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=COC2=CC=CC=C12 |
|---|---|
| IUPAC Name | 3-methyl-1-benzofuran |
| InChIKey | ZRXHLJNBNWVNIM-UHFFFAOYSA-N |
| INCHI | 1S/C9H8O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-6H,1H3 |
| Isomeric SMILES | CC1=COC2=CC=CC=C12 |
| WGK Germany | 3 |
| Molecular Weight | 132.16 |
| Beilstein | 17(5)2,25 |
| Reaxy-Rn | 111281 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111281&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzofurans |
| Alternative Parents | Benzenoids Heteroaromatic compounds Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2513366 | Certificate of Analysis | Sep 12, 2024 | M588133 |
| B2513367 | Certificate of Analysis | Sep 12, 2024 | M588133 |
| B2513368 | Certificate of Analysis | Sep 12, 2024 | M588133 |
| B2513369 | Certificate of Analysis | Sep 12, 2024 | M588133 |
| B2513370 | Certificate of Analysis | Sep 12, 2024 | M588133 |
| B2513377 | Certificate of Analysis | Sep 12, 2024 | M588133 |
| Sensitivity | Heat sensitive |
|---|---|
| Refractive Index | 1.55 |
| Flash Point(°C) | 73 °C |
| Boil Point(°C) | 197 °C |
| Molecular Weight | 132.160 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 132.058 Da |
| Monoisotopic Mass | 132.058 Da |
| Topological Polar Surface Area | 13.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 122.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
