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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)-

3-(4-fluorophenyl)-3-oxopropanenitrile

N#CCC(=O)c1ccc(cc1)F Request for Quotation
Chemical Name: 3-(4-fluorophenyl)-3-oxopropanenitrile
CAS Number: 4640-67-9
Product Number: AG003LF6(AGN-PC-0KL25V)
Synonyms:
MDL No:
Molecular Formula: C9H6FNO
Molecular Weight: 163.1484

Identification/Properties

Properties
MP:
84-88 °C
BP:
311.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Solubility:
Soluble in dimethylformamide, dimethyl sulfoxide.
Computed Properties
Molecular Weight:
163.151g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
163.043g/mol
Monoisotopic Mass:
163.043g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
210
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


4-Fluorobenzoylacetonitrile is a versatile compound commonly used in chemical synthesis as a key intermediate in various organic reactions. Its unique chemical structure makes it an essential building block for the synthesis of diverse compounds in the pharmaceutical, agrochemical, and material science industries. In the realm of medicinal chemistry, 4-Fluorobenzoylacetonitrile is utilized in the production of potential drug candidates and derivatives due to its ability to introduce the fluorine atom into the molecular skeleton, which can enhance the biological activity and metabolic stability of the final molecules. Additionally, this compound is employed in the development of functional materials and complex organic molecules, showcasing its significance in advancing synthetic methodologies and expanding the scope of chemical synthesis.