≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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 | C1C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 7-nitro-4H-1,4-benzoxazin-3-one |
| InChIKey | YVGHCFMAEHXPBH-UHFFFAOYSA-N |
| INCHI | 1S/C8H6N2O4/c11-8-4-14-7-3-5(10(12)13)1-2-6(7)9-8/h1-3H,4H2,(H,9,11) |
| Isomeric SMILES | C1C(=O)NC2=C(O1)C=C(C=C2)[N+](=O)[O-] |
| Molecular Weight | 194.1 |
| Reaxy-Rn | 189476 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=189476&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 | Benzoxazines |
| Subclass | Benzoxazinones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazinones |
| Alternative Parents | Benzomorpholines Nitroaromatic compounds Alkyl aryl ethers Benzenoids Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazinone - Benzomorpholine - Nitroaromatic compound - Alkyl aryl ether - Oxazinane - Benzenoid - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. |
| 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 |
|---|---|---|---|
 A2612400 | Certificate of Analysis | Nov 08, 2025 | N186748 |
| A2612401 | Certificate of Analysis | Nov 08, 2025 | N186748 |
| A2612402 | Certificate of Analysis | Nov 08, 2025 | N186748 |
| A2612403 | Certificate of Analysis | Nov 08, 2025 | N186748 |
| Molecular Weight | 194.140 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 194.033 Da |
| Monoisotopic Mass | 194.033 Da |
| Topological Polar Surface Area | 84.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 263.000 |
| 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 |
