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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)-

5-Chloro-3-(trifluoromethyl)-1H-pyrazole

FC(c1[nH]nc(c1)Cl)(F)F Request for Quotation
Chemical Name: 5-Chloro-3-(trifluoromethyl)-1H-pyrazole
CAS Number: 131797-35-8
Product Number: AG0001MV(AGN-PC-0WALMT)
Synonyms:
MDL No:
Molecular Formula: C4H2ClF3N2
Molecular Weight: 170.5203

Identification/Properties

Computed Properties
Molecular Weight:
170.519g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
169.986g/mol
Monoisotopic Mass:
169.986g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
126
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:
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


5-Chloro-3-(trifluoromethyl)-1H-pyrazole is a versatile compound commonly used in chemical synthesis as a key building block in various reactions. It acts as a valuable intermediate in the production of pharmaceuticals, agrochemicals, and fine chemicals due to its unique chemical properties. This compound serves as a crucial starting material for the synthesis of biologically active compounds, such as fungicides and insecticides, by participating in multi-step synthetic pathways. Its trifluoromethyl group enhances the compound's reactivity and offers opportunities for the introduction of fluorine-containing functional groups into target molecules, leading to the development of fluorinated compounds with improved properties. In addition, the presence of the chloro substituent enables further derivatization, allowing for the modification of the compound's structure to tailor its properties for specific applications in drug discovery and material science. The use of 5-Chloro-3-(trifluoromethyl)-1H-pyrazole in chemical synthesis highlights its significance in the preparation of diverse compounds with potential biological and industrial applications.