≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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 | CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
|---|---|
| IUPAC Name | 1-(6-nitro-1,3-benzodioxol-5-yl)ethanone |
| InChIKey | BQONDGIXVHVIIR-UHFFFAOYSA-N |
| INCHI | 1S/C9H7NO5/c1-5(11)6-2-8-9(15-4-14-8)3-7(6)10(12)13/h2-3H,4H2,1H3 |
| Isomeric SMILES | CC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2 |
| Molecular Weight | 209.16 |
| Beilstein | 199756 |
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 | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Acetophenones Nitroaromatic compounds Aryl alkyl ketones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Acetophenone - Benzodioxole - Nitroaromatic compound - Aryl ketone - Aryl alkyl ketone - Benzenoid - Ketone - C-nitro compound - Organic nitro compound - Acetal - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. |
| 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 |
|---|---|---|---|
 B2628335 | Certificate of Analysis | Feb 26, 2026 | M770131 |
| B2628336 | Certificate of Analysis | Feb 26, 2026 | M770131 |
| B2628337 | Certificate of Analysis | Feb 26, 2026 | M770131 |
| B2628338 | Certificate of Analysis | Feb 26, 2026 | M770131 |
| B2628339 | Certificate of Analysis | Feb 26, 2026 | M770131 |
| B2628340 | Certificate of Analysis | Feb 26, 2026 | M770131 |
| Boil Point(°C) | 392.4±42.0 °C at 760 mmHg |
|---|---|
| Melt Point(°C) | 116-125℃ |
| Molecular Weight | 209.160 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 209.032 Da |
| Monoisotopic Mass | 209.032 Da |
| Topological Polar Surface Area | 81.400 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 287.000 |
| 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 |
