1H-Pyrazole, 4-chloro-1,3-dimethyl-


Chemical Name: 1H-Pyrazole, 4-chloro-1,3-dimethyl-
CAS Number: 15878-44-1
Product Number: AG001QV5(AGN-PC-0NKFPQ)
Synonyms:
MDL No:
Molecular Formula: C5H7ClN2
Molecular Weight: 130.5755

Identification/Properties


Computed Properties
Molecular Weight:
130.575g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
130.03g/mol
Monoisotopic Mass:
130.03g/mol
Topological Polar Surface Area:
17.8A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
86.5
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



4-Chloro-1,3-dimethyl-1H-pyrazole is a versatile compound commonly employed in chemical synthesis as a building block for various organic molecules. This compound serves as a crucial intermediate in the preparation of pharmaceuticals, agrochemicals, and other fine chemicals due to its unique structural properties. The presence of the chloro and methyl groups on the pyrazole ring imparts specific reactivity, allowing for selective functionalization and modification through various chemical reactions. In particular, 4-Chloro-1,3-dimethyl-1H-pyrazole is often utilized in the synthesis of heterocyclic compounds, coordination complexes, and bioactive molecules. Its strategic incorporation in multi-step organic syntheses enables the rapid and efficient construction of complex chemical structures with tailored properties and functionalities. The versatility and synthetic utility of 4-Chloro-1,3-dimethyl-1H-pyrazole make it a valuable tool for chemists and researchers engaged in the development of novel compounds for diverse applications in the field of chemistry.