1,3,4-Oxadiazole, 2-methyl-


Chemical Name: 1,3,4-Oxadiazole, 2-methyl-
CAS Number: 3451-51-2
Product Number: AG0033DS(AGN-PC-0JSV8R)
Synonyms:
MDL No:
Molecular Formula: C3H4N2O
Molecular Weight: 84.0767

Identification/Properties


Properties
MP:
180-181℃(Solv: ethanol (64-17-5))
BP:
123°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
84.078g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
84.032g/mol
Monoisotopic Mass:
84.032g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
48.1
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Methyl-1,3,4-oxadiazole is a versatile building block in chemical synthesis, commonly used in the pharmaceutical and agrochemical industries. Its unique structure containing a five-membered heterocycle makes it an important intermediate for the synthesis of various organic compounds.One key application of 2-Methyl-1,3,4-oxadiazole is its use as a precursor in the preparation of heterocyclic derivatives with potential biological activities. By incorporating this compound into target molecules, chemists can modulate the properties and functions of the final products. This can lead to the development of new drugs, pesticides, and other bioactive agents.Additionally, 2-Methyl-1,3,4-oxadiazole can serve as a synthetic handle for introducing functional groups or chemical moieties into a molecular scaffold. This enables chemists to tailor the properties of the resulting compounds for specific applications, such as improving solubility, stability, or targeting specific biological pathways.Overall, the versatility of 2-Methyl-1,3,4-oxadiazole in chemical synthesis makes it a valuable tool for designing and synthesizing diverse organic molecules with potential applications in various fields.