5-Methyltetrazole - CAS 4076-36-2
Catalog: |
BB024657 |
Product Name: |
5-Methyltetrazole |
CAS: |
4076-36-2 |
Synonyms: |
5-methyl-2H-tetrazole; 5-methyl-2H-tetrazole |
IUPAC Name: | 5-methyl-2H-tetrazole |
Description: | 5-Methyltetrazole (CAS# 4076-36-2) is used in the preparation of novel antifungal agents based derived from N-iodopropargylazoles and N-triiodoallylazoles. 5-Methyl Tetrazole also in the preparation of novel quinoline derivatives against mycobacterium tuberculosis. |
Molecular Weight: | 84.08 |
Molecular Formula: | C2H4N4 |
Canonical SMILES: | CC1=NNN=N1 |
InChI: | InChI=1S/C2H4N4/c1-2-3-5-6-4-2/h1H3,(H,3,4,5,6) |
InChI Key: | XZGLNCKSNVGDNX-UHFFFAOYSA-N |
Boiling Point: | 233.3 °C at 760 mmHg |
Melting Point: | 142-146°C |
Flash Point: | 116.7°C |
Density: | 1.319 g/cm3 |
Appearance: | White to yellowish crystals |
Storage: | Keep Cold |
MDL: | MFCD00185824 |
LogP: | -0.49190 |
Refractive Index: | 1.533 |
GHS Hazard Statement: | H228 (11.63%): Flammable solid [Danger Flammable solids] |
Precautionary Statement: | P210, P240, P241, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2016102059-A1 | Kinase inhibitors | 20141001 |
WO-2015187675-A2 | Anti-reflective coating cleaning and post-etch residue removal composition having metal, dielectric and nitride compatibility | 20140604 |
WO-2015179441-A2 | Macrocyclic broad spectrum antibiotics | 20140520 |
WO-2015173321-A1 | Composition for dyeing keratin fibres, comprising a particular imidazole coupler and an oxidation base | 20140516 |
WO-2015173419-A1 | Sydnone derivatives for conjugation of compounds of interest | 20140516 |
PMID | Publication Date | Title | Journal |
23200244 | 20130101 | Inhibitors of HIV-1 attachment. Part 9: an assessment of oral prodrug approaches to improve the plasma exposure of a tetrazole-containing derivative | Bioorganic & medicinal chemistry letters |
22274660 | 20120401 | Evaluation of in vitro cytotoxicity of one-dimensional chain [Fe(salen)(L)](n) complexes against human cancer cell lines | Toxicology in vitro : an international journal published in association with BIBRA |
19885536 | 20091128 | Novel 1D chain Fe(III)-salen-like complexes involving anionic heterocyclic N-donor ligands. Synthesis, X-ray structure, magnetic, (57)Fe Mössbauer, and biological activity studies | Dalton transactions (Cambridge, England : 2003) |
19724803 | 20090928 | In situ tetrazole ligand synthesis leading to a microporous cadmium-organic framework for selective ion sensing | Chemical communications (Cambridge, England) |
18463752 | 20080521 | Reversible shrinkage and expansion of a blue photofluorescent cadmium coordination polymer and in situ tetrazole ligand synthesis | Chemical communications (Cambridge, England) |
Complexity: | 44.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 84.043596145 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.043596145 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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