≥98% 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.
| Canonical Smiles | C1COCCN1C2=C(C=C(C=N2)Br)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 4-(5-bromo-3-nitropyridin-2-yl)morpholine |
| InChIKey | WWQJIRVJWYMVDK-UHFFFAOYSA-N |
| INCHI | 1S/C9H10BrN3O3/c10-7-5-8(13(14)15)9(11-6-7)12-1-3-16-4-2-12/h5-6H,1-4H2 |
| Isomeric SMILES | C1COCCN1C2=C(C=C(C=N2)Br)[N+](=O)[O-] |
| Molecular Weight | 288.1 |
| Reaxy-Rn | 20936848 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20936848&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 | Organic 1,3-dipolar compounds |
| Class | Allyl-type 1,3-dipolar organic compounds |
| Subclass | Organic nitro compounds |
| Intermediate Tree Nodes | C-nitro compounds |
| Direct Parent | Nitroaromatic compounds |
| Alternative Parents | Dialkylarylamines Aminopyridines and derivatives Aryl bromides Imidolactams Morpholines Heteroaromatic compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organobromides Organic cations |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Pyridine - Imidolactam - Heteroaromatic compound - Organoheterocyclic compound - Dialkyl ether - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Ether - Organic oxoazanium - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organooxygen compound - Organohalogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organic cation - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group. |
| External Descriptors | Not available |
| Molecular Weight | 288.100 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 286.991 Da |
| Monoisotopic Mass | 286.991 Da |
| Topological Polar Surface Area | 71.200 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 255.000 |
| 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 |
