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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)-

4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole

ClCc1nnn(c1)c1ccccc1 Request for Quotation
Chemical Name: 4-(chloromethyl)-1-phenyl-1H-1,2,3-triazole
CAS Number: 924868-97-3
Product Number: AG00H20K(AGN-PC-0WAZ5M)
Synonyms:
MDL No: MFCD08444000
Molecular Formula: C9H8ClN3
Molecular Weight: 193.6329

Identification/Properties

Computed Properties
Molecular Weight:
193.634g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
193.041g/mol
Monoisotopic Mass:
193.041g/mol
Topological Polar Surface Area:
30.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
159
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound 4-(Chloromethyl)-1-phenyl-1H-1,2,3-triazole is a versatile building block in chemical synthesis. With its unique structure combining a triazole ring and a chloromethyl group, this compound can participate in a variety of synthetic reactions to generate diverse chemical products. In organic synthesis, it can serve as a key intermediate in the preparation of pharmaceuticals, agrochemicals, and materials. Its reactivity at the chloromethyl group enables the introduction of functional groups through nucleophilic substitution reactions. Additionally, the triazole ring in the molecule can act as a coordinating site for metal catalysts, facilitating complex transformations in transition metal-catalyzed reactions. Furthermore, the presence of the phenyl group provides an aromatic moiety that can influence the compound's electronic properties and interactions in chemical reactions. Overall, 4-(Chloromethyl)-1-phenyl-1H-1,2,3-triazole plays a crucial role in the construction of diverse molecular architectures in synthetic chemistry.