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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-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(phenylmethyl)-

OC(=O)c1nnn(c1C)Cc1ccccc1 Request for Quotation
Chemical Name: 1H-1,2,3-Triazole-4-carboxylic acid, 5-methyl-1-(phenylmethyl)-
CAS Number: 54698-60-1
Product Number: AG00D86N(AGN-PC-0KL758)
Synonyms:
MDL No:
Molecular Formula: C11H11N3O2
Molecular Weight: 217.2239

Identification/Properties

Properties
MP:
170 °C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
217.228g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
217.085g/mol
Monoisotopic Mass:
217.085g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
254
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#:
-
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-Benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid plays a key role in chemical synthesis as a versatile building block. This compound is particularly prized for its ability to serve as a precursor in the creation of various functionalized triazoles, a class of compounds known for their diverse applications in medicinal chemistry, materials science, and agrochemicals. Its unique structure and reactivity allow for selective modifications leading to the formation of novel compounds with desired properties. Additionally, its presence in complex molecules can enhance their biological activity or physical properties, making it a valuable tool for synthetic chemists seeking to develop new materials and pharmaceuticals.