Ethanone, 1-(4-chloro-3-fluorophenyl)-


Chemical Name: Ethanone, 1-(4-chloro-3-fluorophenyl)-
CAS Number: 151945-84-5
Product Number: AG0033ZF(AGN-PC-0L0KB7)
Synonyms:
MDL No: MFCD04115858
Molecular Formula: C8H6ClFO
Molecular Weight: 172.5840

Identification/Properties


Properties
MP:
41.0 to 45.0 °C
BP:
247.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
172.583g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
172.009g/mol
Monoisotopic Mass:
172.009g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
160
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
Precautionary Statements:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



4'-Chloro-3'-Fluoroacetophenone is a versatile chemical compound that finds extensive applications in chemical synthesis. This compound serves as a valuable building block in the synthesis of various complex organic molecules due to its unique chemical properties. In chemical synthesis, 4'-Chloro-3'-Fluoroacetophenone can act as a key intermediate in the preparation of pharmaceutical compounds, agrochemicals, and fine chemicals. Its specific fluorine and chlorine substituents confer distinct reactivity and selectivity in organic reactions, allowing for the efficient construction of diverse molecular structures. By incorporating 4'-Chloro-3'-Fluoroacetophenone into synthetic pathways, chemists can introduce precise functional groups and stereochemistry, enabling the creation of novel compounds with tailored properties. This compound serves as a valuable tool for synthetic chemists aiming to design and produce target molecules with specific biological or chemical activities.