≥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 | CC(C)(C)OC(=O)NCC1CC(=NO1)Br |
|---|---|
| IUPAC Name | tert-butyl N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate |
| InChIKey | AHAHZEKELWWMSJ-UHFFFAOYSA-N |
| INCHI | 1S/C9H15BrN2O3/c1-9(2,3)14-8(13)11-5-6-4-7(10)12-15-6/h6H,4-5H2,1-3H3,(H,11,13) |
| Isomeric SMILES | CC(C)(C)OC(=O)NCC1CC(=NO1)Br |
| PubChem CID | 13637723 |
| Molecular Weight | 279.14 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azolines |
| Subclass | Isoxazolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoxazolines |
| Alternative Parents | Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Carbamic acid ester - Isoxazoline - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoxazolines. These are compounds containing a five-member unsaturated aliphatic ring, with an oxygen atom adjacent to a nitrogen atoms, and three carbon atoms. |
| External Descriptors | Not available |
| Melt Point(°C) | 70-72° |
|---|---|
| Molecular Weight | 279.130 g/mol |
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 278.027 Da |
| Monoisotopic Mass | 278.027 Da |
| Topological Polar Surface Area | 59.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 273.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-Methyl-2-propanyl [(3-bromo-4，5-dihydro-1，2-oxazol-5-yl)methyl]carbamate - ≥95% CAS No(109770-82-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/7/M727615.jpg)