≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CC1C2=C(C(=NO2)C3=CC=CC=C3OC(F)(F)F)CBr |
|---|---|
| IUPAC Name | 4-(bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole |
| InChIKey | DEZDVAAAZZONAM-UHFFFAOYSA-N |
| INCHI | 1S/C14H11BrF3NO2/c15-7-10-12(19-21-13(10)8-5-6-8)9-3-1-2-4-11(9)20-14(16,17)18/h1-4,8H,5-7H2 |
| Molecular Weight | 362.140 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds 5-cyclopropylisoxazoles Heteroaromatic compounds Trihalomethanes Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - 5-cyclopropylisoxazole - Cyclopropylisoxazole - Phenol ether - Monocyclic benzene moiety - Azole - Isoxazole - Heteroaromatic compound - Trihalomethane - Oxacycle - Azacycle - Organoheterocyclic compound - Alkyl halide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl bromide - Hydrocarbon derivative - Halomethane - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Molecular Weight | 362.140 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 360.993 Da |
| Monoisotopic Mass | 360.993 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| 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 |
![4-(Bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole - ≥95% , CAS No.946427-86-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)