≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
· Eschenmoser coupling reaction · Preparation of β-oxo sulfones as substrates for stereoselective Michael addition/cross-benzoin cascade reactions · Preparation of thienylpyrazole-based thiazoles and pyrazolines as antimicrobial, antioxidant, anti-inflammatory, and analgesic agents · Preparation of isatin-(benzofuryl-thiazolyl)-hydrazones by cyclocondensation with isatin-thiosemicarbazones under microwave irradiation as antimicrobial agents · Synthesis of 2-naphthyl ethers as a protective agent against DNA damage induced by bleomycin-iron · Asymmetric synthesis of β-dialkylamino alcohols by Ru-catalyzed transfer hydrogenation of α-dialkylamino ketones
| Pubchem Sid | 488192719 |
|---|---|
| Canonical Smiles | C1=CC=C2C(=C1)C=C(O2)C(=O)CBr |
| IUPAC Name | 1-(1-benzofuran-2-yl)-2-bromoethanone |
| InChIKey | NVRNCBWTEDOAQA-UHFFFAOYSA-N |
| INCHI | 1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2 |
| Isomeric SMILES | C1=CC=C2C(=C1)C=C(O2)C(=O)CBr |
| WGK Germany | 2 |
| UN Number | 3261 |
| Packing Group | II |
| Molecular Weight | 239.07 |
| Reaxy-Rn | 383824 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383824&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 | Aryl alkyl ketones Benzenoids Heteroaromatic compounds Furans Alpha-haloketones Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzofuran - Aryl ketone - Aryl alkyl ketone - Benzenoid - Alpha-haloketone - Furan - Heteroaromatic compound - Ketone - Oxacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - 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 |
| Melt Point(°C) | 86-90℃ |
|---|---|
| Molecular Weight | 239.060 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 237.963 Da |
| Monoisotopic Mass | 237.963 Da |
| Topological Polar Surface Area | 30.200 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 205.000 |
| 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 |
J2211804