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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-[3-(trifluoromethyl)phenyl]-

FC(c1cccc(c1)c1nnn[nH]1)(F)F Request for Quotation
Chemical Name: 1H-Tetrazole, 5-[3-(trifluoromethyl)phenyl]-
CAS Number: 92712-48-6
Product Number: AG006EQS(AGN-PC-0ONCJW)
Synonyms:
MDL No: MFCD00068098
Molecular Formula: C8H5F3N4
Molecular Weight: 214.1473

Identification/Properties

Properties
MP:
156-158°C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
214.151g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
214.047g/mol
Monoisotopic Mass:
214.047g/mol
Topological Polar Surface Area:
54.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
220
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-(3-(Trifluoromethyl)phenyl)-1H-tetrazole is a versatile compound widely utilized in chemical synthesis due to its unique properties. This compound serves as a valuable building block in the development of novel pharmaceuticals, agrochemicals, and materials.In chemical synthesis, 5-(3-(Trifluoromethyl)phenyl)-1H-tetrazole is commonly employed as a reliable precursor for the introduction of the trifluoromethyl group into organic molecules. The trifluoromethyl group is known for its ability to enhance the physicochemical properties of compounds, making them valuable in drug discovery and material science. By incorporating this functional group using 5-(3-(Trifluoromethyl)phenyl)-1H-tetrazole, researchers can modulate the lipophilicity, metabolic stability, and bioactivity of the resulting molecules.Furthermore, the tetrazole moiety present in this compound offers additional reactivity, allowing for the formation of diverse chemical scaffolds. Its presence can lead to the development of bioisosteres, which are crucial in fine-tuning the biological activity and pharmacokinetic profiles of potential drug candidates. Additionally, the 5-(3-(Trifluoromethyl)phenyl)-1H-tetrazole scaffold can participate in click chemistry reactions, facilitating the rapid assembly of complex molecular architectures.Overall, the application of 5-(3-(Trifluoromethyl)phenyl)-1H-tetrazole in chemical synthesis enables the efficient construction of novel molecules with enhanced properties, thus opening up new avenues for drug discovery and material design.