2-(triazol-1-yl)acetic acid;hydrochloride


Chemical Name: 2-(triazol-1-yl)acetic acid;hydrochloride
CAS Number: 1187582-48-4
Product Number: AG007PQZ(AGN-PC-07CEWT)
Synonyms:
MDL No:
Molecular Formula: C4H6ClN3O2
Molecular Weight: 163.5623

Identification/Properties


Computed Properties
Molecular Weight:
163.561g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
163.015g/mol
Monoisotopic Mass:
163.015g/mol
Topological Polar Surface Area:
68A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
116
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:
2
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



2-(1H-1,2,3-Triazol-1-yl)acetic acid hydrochloride is commonly utilized in chemical synthesis as a versatile building block for the formation of various organic compounds. This compound serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and fine chemicals.In chemical synthesis, 2-(1H-1,2,3-Triazol-1-yl)acetic acid hydrochloride can undergo multiple reactions such as acylation, alkylation, and condensation to yield diverse products with unique chemical properties. Its triazole functionality imparts stability and reactivity, making it ideal for creating complex molecular structures.Furthermore, the hydrochloride salt form of 2-(1H-1,2,3-Triazol-1-yl)acetic acid offers improved solubility and compatibility in aqueous environments, facilitating its use in reactions requiring polar solvents. This compound plays a crucial role in the development of novel compounds with potential applications in the fields of medicine, agriculture, and materials science.