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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, 1-(2-chlorophenyl)-5-methyl-

Clc1ccccc1n1nnc(c1C)C(=O)O Request for Quotation
Chemical Name: 1H-1,2,3-Triazole-4-carboxylic acid, 1-(2-chlorophenyl)-5-methyl-
CAS Number: 99074-45-0
Product Number: AG005T6R(AGN-PC-0JWTG3)
Synonyms:
MDL No:
Molecular Formula: C10H8ClN3O2
Molecular Weight: 237.6424

Identification/Properties

Properties
BP:
463.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
237.643g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
237.031g/mol
Monoisotopic Mass:
237.031g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
277
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


1-(2-Chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid, also known as $name$, is a versatile compound widely used in chemical synthesis. This compound plays a crucial role in the creation of novel pharmaceuticals, agrochemicals, and materials due to its unique chemical properties. In chemical synthesis, $name$ serves as a key building block for the development of various organic compounds through its involvement in diverse reactions such as acylation, alkylation, and cyclization. Its ability to undergo selective substitution reactions makes it a valuable tool in the construction of complex molecular structures. Moreover, the presence of the triazole ring in $name$ imparts desirable biological activities to the final products, making it a valuable component in the discovery of new bioactive molecules.