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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

1H-Tetrazole, 5-(phenylmethyl)-

c1ccc(cc1)Cc1nnn[nH]1 Request for Quotation
Chemical Name: 1H-Tetrazole, 5-(phenylmethyl)-
CAS Number: 18489-25-3
Product Number: AG003MEZ(AGN-PC-0O5CB6)
Synonyms:
MDL No:
Molecular Formula: C8H8N4
Molecular Weight: 160.1759

Identification/Properties

Properties
MP:
117-121℃
BP:
356.6°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
160.18g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
160.075g/mol
Monoisotopic Mass:
160.075g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
133
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Benzyl-1H-tetrazole is a versatile compound widely used in chemical synthesis as a key building block in various organic reactions. Due to its unique structure and reactivity, this compound serves as an important intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials.In organic synthesis, 5-Benzyl-1H-tetrazole is commonly employed as a nucleophilic reagent in nucleophilic substitution reactions. It can undergo substitution reactions with a variety of electrophiles, such as alkyl halides, to form new carbon-carbon or carbon-nitrogen bonds. This allows for the functionalization of organic molecules and the synthesis of complex structures.Furthermore, 5-Benzyl-1H-tetrazole can also act as a ligand in coordination chemistry, forming stable complexes with transition metal ions. These complexes have been utilized in catalytic processes, such as cross-coupling reactions and C-H activation, enabling the efficient synthesis of valuable compounds.Additionally, 5-Benzyl-1H-tetrazole is known for its role as a precursor in the preparation of energetic materials, including high-energy density polymers and advanced explosives. Its nitrogen-rich composition makes it a desirable component in such applications, enhancing the energetic performance of the final products.Overall, the versatile nature of 5-Benzyl-1H-tetrazole makes it a valuable tool in chemical synthesis, paving the way for the development of diverse functional molecules and materials in various fields of science and industry.