Determine the necessary mass, volume, or concentration for preparing a solution.
≥97%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Argon charged,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181746 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181746 |
| Canonical Smiles | C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-] |
| IUPAC Name | 6-nitro-1,3-benzodioxole-5-carbaldehyde |
| InChIKey | NRZWECORTTWSEF-UHFFFAOYSA-N |
| INCHI | 1S/C8H5NO5/c10-3-5-1-7-8(14-4-13-7)2-6(5)9(11)12/h1-3H,4H2 |
| Isomeric SMILES | C1OC2=C(O1)C=C(C(=C2)C=O)[N+](=O)[O-] |
| WGK Germany | 3 |
| RTECS | DF4912750 |
| Molecular Weight | 195.13 |
| Beilstein | 19125 |
| Reaxy-Rn | 384010 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=384010&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 | Benzodioxoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzodioxoles |
| Alternative Parents | Nitroaromatic compounds Aryl-aldehydes Benzenoids 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 | Benzodioxole - Nitroaromatic compound - Aryl-aldehyde - Benzenoid - 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 - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aldehyde - 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 |
|---|---|---|---|
| Certificate of Analysis | Oct 30, 2025 | N159573 | |
| Certificate of Analysis | Oct 30, 2025 | N159573 | |
| Certificate of Analysis | Oct 30, 2025 | N159573 | |
| Certificate of Analysis | Oct 30, 2025 | N159573 | |
| Certificate of Analysis | Jul 20, 2023 | N159573 | |
| Certificate of Analysis | Jul 20, 2023 | N159573 | |
| Certificate of Analysis | Jul 20, 2023 | N159573 | |
| Certificate of Analysis | Jul 20, 2023 | N159573 | |
| Certificate of Analysis | Jul 22, 2022 | N159573 | |
| Certificate of Analysis | Jan 19, 2022 | N159573 | |
| Certificate of Analysis | Jan 19, 2022 | N159573 |
| Sensitivity | Air & Light Sensitive |
|---|---|
| Melt Point(°C) | 97 °C |
| Molecular Weight | 195.130 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 195.017 Da |
| Monoisotopic Mass | 195.017 Da |
| Topological Polar Surface Area | 81.400 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 251.000 |
| 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 |
| 1. Xiaoyi Dai, Zhong Li, Xusheng Shao. (2023) Photocontrolled Release of Carbendazim from Photocaged Molecule. PHOTOCHEMISTRY AND PHOTOBIOLOGY, 99 (5): (1310-1317). [PMID:36627227] [10.1111/php.13779] |