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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)-

Benzoic acid, 4-(1H-1,2,4-triazol-1-yl)-, ethyl ester

CCOC(=O)c1ccc(cc1)n1ncnc1 Request for Quotation
Chemical Name: Benzoic acid, 4-(1H-1,2,4-triazol-1-yl)-, ethyl ester
CAS Number: 143426-48-6
Product Number: AG003Q8N(AGN-PC-03SS1I)
Synonyms:
MDL No: MFCD06205121
Molecular Formula: C11H11N3O2
Molecular Weight: 217.2239

Identification/Properties

Properties
BP:
378.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
217.228g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
217.085g/mol
Monoisotopic Mass:
217.085g/mol
Topological Polar Surface Area:
57A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
239
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


Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate is a versatile compound that holds significant importance in chemical synthesis. This compound exhibits a unique molecular structure that lends itself well to various synthetic applications. One key area where Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate finds utility is in the realm of medicinal chemistry. Its distinct chemical properties make it an attractive building block for the synthesis of bioactive compounds and pharmaceutical agents. Researchers often utilize this compound as a precursor in the development of new drug candidates due to its structural features and reactivity.Furthermore, Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate plays a crucial role in the synthesis of advanced materials. Its presence in synthetic pathways enables the creation of functional materials with tailored properties. This compound can be incorporated into polymers, organic electronics, and other materials, allowing for precise control over their characteristics and performance.In addition to its applications in medicinal chemistry and material science, Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate is also employed in the synthesis of agrochemicals and specialty chemicals. Its versatility and reactivity make it a valuable tool for chemists seeking to design and develop novel compounds for various industrial purposes.