≥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.
| Pubchem Sid | 488187735 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187735 |
| Canonical Smiles | C1=C(NN=C1)[N+](=O)[O-] |
| IUPAC Name | 5-nitro-1H-pyrazole |
| InChIKey | MZRUFMBFIKGOAL-UHFFFAOYSA-N |
| INCHI | 1S/C3H3N3O2/c7-6(8)3-1-2-4-5-3/h1-2H,(H,4,5) |
| Isomeric SMILES | C1=C(NN=C1)[N+](=O)[O-] |
| Molecular Weight | 113.08 |
| Reaxy-Rn | 606970 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606970&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 | Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Azole - Pyrazole - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G1712020 | Certificate of Analysis | Feb 08, 2025 | N159407 |
| L2403436 | Certificate of Analysis | Nov 22, 2024 | N159407 |
| L2403440 | Certificate of Analysis | Nov 22, 2024 | N159407 |
| L2403441 | Certificate of Analysis | Nov 22, 2024 | N159407 |
| B23021054 | Certificate of Analysis | Dec 10, 2022 | N159407 |
| B23021055 | Certificate of Analysis | Dec 10, 2022 | N159407 |
| B2302881 | Certificate of Analysis | Dec 10, 2022 | N159407 |
| B2302916 | Certificate of Analysis | Dec 10, 2022 | N159407 |
| B2302917 | Certificate of Analysis | Dec 10, 2022 | N159407 |
| B2302932 | Certificate of Analysis | Dec 10, 2022 | N159407 |
| B2302983 | Certificate of Analysis | Dec 10, 2022 | N159407 |
| C2209204 | Certificate of Analysis | Mar 23, 2022 | N159407 |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 173-175°C |
| Molecular Weight | 113.080 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 113.023 Da |
| Monoisotopic Mass | 113.023 Da |
| Topological Polar Surface Area | 74.500 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 99.200 |
| 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 |
