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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)-

Pyrimidine, 4,5,6-trifluoro-

Fc1c(F)ncnc1F Request for Quotation
Chemical Name: Pyrimidine, 4,5,6-trifluoro-
CAS Number: 17573-78-3
Product Number: AG00215I(AGN-PC-0KWOR7)
Synonyms:
MDL No:
Molecular Formula: C4HF3N2
Molecular Weight: 134.0593

Identification/Properties

Properties
BP:
135.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
134.061g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
134.009g/mol
Monoisotopic Mass:
134.009g/mol
Topological Polar Surface Area:
25.8A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
89.8
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


4,5,6-Trifluoropyrimidine is a versatile building block commonly used in chemical synthesis for the preparation of various pharmaceuticals, agrochemicals, and functional materials. Its unique structure and properties make it a valuable intermediate in the production of diverse compounds. Due to its trifluoromethyl substituents, 4,5,6-Trifluoropyrimidine is particularly useful in introducing fluorine atoms into organic molecules, which can enhance their biological activity or physicochemical properties. This compound is frequently employed in the pharmaceutical industry for the synthesis of novel drug candidates, as well as in agrochemical research for the development of new pesticides. Additionally, 4,5,6-Trifluoropyrimidine serves as a key component in the creation of advanced materials with specialized properties, such as fluorescent dyes, liquid crystals, and polymers. Its role in chemical synthesis extends to the generation of complex molecular structures with improved characteristics, making it an indispensable tool for researchers and chemists in various fields.