5-Methyltetrazole - ≥98% , CAS No.4076-36-2

CAS: 4076-36-2 Cat. No.: M101657 Formule: C₂H₄N₄ Poids moléculaire: 84.08 Numéro CE: 609-862-8

GRADE & PURITY ≥98%

Synonyms

AKOS005174188 | BCP22228 | GS-3021 | 5-Methyl-1H-Tertazole | A825278 | 5-Methyltetrazole | DL-1-Thioglycerol | M 5T | XJM | 5-Methyl-1H-1,2,3,4-tertazole | EN300-104530 | 5-methyl-2H-1,2,3,4-tetrazole | NSC 11136 | MFCD00129971 | SY031544 | 5-methyl-2H-te

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

AKOS005174188 | BCP22228 | GS-3021 | 5-Methyl-1H-Tertazole | A825278 | 5-Methyltetrazole | DL-1-Thioglycerol | M 5T | XJM | 5-Methyl-1H-1,2,3,4-tertazole | EN300-104530 | 5-methyl-2H-1,2,3,4-tetrazole | NSC 11136 | MFCD00129971 | SY031544 | 5-methyl-2H-te

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488187988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187988
• Sourires canoniques: 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)
• Isomères SMILES: CC1=NNN=N1
• WGK Allemagne: 3
• CAS alternatif: 4076-36-2
• Numéro NSC: 11136
• Poids moléculaire: 84.08
• Reaxy-Rn: 606026
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606026&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water.
• Point de fusion (°C): 142-146℃
• Poids moléculaire: 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

Références

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]

5. Ren Mingfei, Ma Jiacheng, Qin Long, Zhang Boyuan, Wang Bokun, Zhang Kaige, Ji Zhanyou, Chen Chaochan, Wu Fan, Kang Yifan, Huang Wenhuan.  (2026)  Electromagnetic wave absorbing materials derived from rare earth ions enriched via host-guest interactions in anion metal-organic frameworks.  Science China-Materials,      [PMID:] [10.1007/s40843-025-4016-3]

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 4076-36-2, the molecular formula is C2H4N4, and the molecular weight is 84.08 g/mol. InChIKey XZGLNCKSNVGDNX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.