Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-


Chemical Name: Ethanone, 1-(4-chlorophenyl)-2,2,2-trifluoro-
CAS Number: 321-37-9
Product Number: AG003L2L(AGN-PC-0JL7W7)
Synonyms:
MDL No:
Molecular Formula: C8H4ClF3O
Molecular Weight: 208.5650

Identification/Properties


Properties
MP:
24-26 °C(lit.)
BP:
218.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.489(lit.)
Computed Properties
Molecular Weight:
208.564g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
207.99g/mol
Monoisotopic Mass:
207.99g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
194
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



The compound 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone is a valuable building block in chemical synthesis due to its unique properties and versatile reactivity. It serves as an important intermediate in the production of various organic compounds, especially in the pharmaceutical and agrochemical industries.This compound is commonly utilized in the preparation of complex molecules through processes such as Friedel-Crafts acylation, Grignard reactions, and nucleophilic addition reactions. Its trifluoromethyl group enhances the reactivity of the molecule, allowing for efficient and selective transformations in synthetic pathways.Moreover, the presence of the chlorophenyl group provides a handle for further derivatization, enabling the introduction of diverse functionalities into the final products. Overall, the strategic incorporation of 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone in chemical syntheses offers chemists a powerful tool to access structurally intricate and biologically active compounds.