≥97% 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 | 488185702 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185702 |
| 정식 스마일 | CC1=C(C=NN1)[N+](=O)[O-] |
| IUPAC Name | 5-methyl-4-nitro-1H-pyrazole |
| InChIKey | WTZYTQJELOHMMJ-UHFFFAOYSA-N |
| INCHI | 1S/C4H5N3O2/c1-3-4(7(8)9)2-5-6-3/h2H,1H3,(H,5,6) |
| 이성체 SMILES | CC1=C(C=NN1)[N+](=O)[O-] |
| RTECS | UQ7435000 |
| 분자량 | 127.103 |
| Reaxy-Rn | 607513 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607513&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 |
| 분류 | 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 |
| 설명 | 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 | 날짜 | 항목 |
|---|---|---|---|
 G1515068 | Certificate of Analysis | Jul 07, 2026 | M135002 |
| H2506052 | Certificate of Analysis | Aug 10, 2025 | M135002 |
| D2319818 | Certificate of Analysis | Feb 08, 2025 | M135002 |
| D2224045 | Certificate of Analysis | Jan 14, 2025 | M135002 |
| D2224046 | Certificate of Analysis | Jan 14, 2025 | M135002 |
| D2224031 | Certificate of Analysis | May 02, 2022 | M135002 |
| 용해성 | Soluble in Methanol |
|---|---|
| 끓는점(°C) | 325 °C |
| 녹는점(°C) | 135 °C |
| 분자량 | 127.100 g/mol |
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 127.038 Da |
| Monoisotopic Mass | 127.038 Da |
| Topological Polar Surface Area | 74.500 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 121.000 |
| 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 |
