≥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 4 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488187988 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488187988 |
| Canonical Smiles | CC1=NNN=N1 |
| IUPAC Name | 5-methyl-2H-tetrazole |
| InChIKey | XZGLNCKSNVGDNX-UHFFFAOYSA-N |
| INCHI | 1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6) |
| Isomeric SMILES | CC1=NNN=N1 |
| WGK Germany | 3 |
| Alternate CAS | 4076-36-2 |
| NSC Number | 11136 |
| Molecular Weight | 84.08 |
| Reaxy-Rn | 606026 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606026&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 | Azoles |
| Subclass | Tetrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrazoles |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Tetrazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tetrazoles. These are organic compounds containing a tetrazole ring, which is a five-member aromatic heterocycle made up of four nitrogen atoms and a one carbon atom. |
| 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 |
|---|---|---|---|
 F2612137 | Certificate of Analysis | Jun 23, 2026 | M101657 |
| F2221368 | Certificate of Analysis | Apr 02, 2026 | M101657 |
| C2630039 | Certificate of Analysis | Feb 13, 2023 | M101657 |
| D23131209 | Certificate of Analysis | Feb 13, 2023 | M101657 |
| D2314262 | Certificate of Analysis | Feb 13, 2023 | M101657 |
| D2314273 | Certificate of Analysis | Feb 13, 2023 | M101657 |
| D2314484 | Certificate of Analysis | Feb 13, 2023 | M101657 |
| D2314490 | Certificate of Analysis | Feb 13, 2023 | M101657 |
| D2314970 | Certificate of Analysis | Feb 13, 2023 | M101657 |
| D2314971 | Certificate of Analysis | Feb 13, 2023 | M101657 |
| B2302463 | Certificate of Analysis | May 30, 2022 | M101657 |
| B2317163 | Certificate of Analysis | May 30, 2022 | M101657 |
| F2221369 | Certificate of Analysis | May 30, 2022 | M101657 |
| F2221370 | Certificate of Analysis | May 30, 2022 | M101657 |
| F2221371 | Certificate of Analysis | May 30, 2022 | M101657 |
| E2224229 | Certificate of Analysis | May 27, 2022 | M101657 |
| Solubility | Soluble in water. |
|---|---|
| Melt Point(°C) | 142-146℃ |
| Molecular Weight | 84.080 g/mol |
| XLogP3 | -0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 84.0436 Da |
| Monoisotopic Mass | 84.0436 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 44.800 |
| 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. Xiaofeng Wei, Lishang Li, Huiting Lian, Xuegong Cao, Bin Liu. (2021) Grain-like chiral metal-organic framework/multi-walled carbon nanotube composited electrosensing interface for enantiorecognition of Tryptophan. JOURNAL OF ELECTROANALYTICAL CHEMISTRY, [PMID:] [10.1016/j.jelechem.2021.115108] |
| 2. Y. L. Zhao, G. D. Lai, G. G. Li, Y. L. Shang, J. C. Shi. (2020) Identifying C2H4N4 structural isomers using fs-laser induced breakdown spectroscopy. ANALYST, 145 (22): (7372-7379). [PMID:32930677] [10.1039/D0AN01593H] |
| 3. Huang Wenhuan, Wang Shun, Hou Xuehan, Zhang Yanan, Zhang Xingxing, Zhao Yaoxiao, Jin Xilang, Zhang Huabin, Wang Fei, Zhang Jian. (2025) Negative PO3-implanted bionic ion transport channels for promoting Li-S battery. Science China-Chemistry, [PMID:] [10.1007/s11426-024-2463-4] |
| 4. Hailong Zhou, Jiuyu Chen, Yunlan Sun, Naiqiang Huang, Jiang Liu, Xuan Jiang, Baozhong Zhu. (2024) Study on nano-sized boron particles modified by EMOF to enhance the combustion performance. THERMOCHIMICA ACTA, [PMID:] [10.1016/j.tca.2024.179827] |
