Benzoyl chloride,3-chloro-4-(trifluoromethoxy)-


Chemical Name: Benzoyl chloride,3-chloro-4-(trifluoromethoxy)-
CAS Number: 261763-17-1
Product Number: AG002S1I(AGN-PC-0R23D6)
Synonyms:
MDL No:
Molecular Formula: C8H3Cl2F3O2
Molecular Weight: 259.0094

Identification/Properties


Computed Properties
Molecular Weight:
259.005g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
257.946g/mol
Monoisotopic Mass:
257.946g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
245
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

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NMR Spectrum


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Chemical Structure



3-Chloro-4-(trifluoromethoxy)benzoyl chloride is a versatile chemical compound commonly used in chemical synthesis for various applications. This reagent serves as a key building block in the preparation of a wide range of organic compounds due to its unique chemical properties. In organic synthesis, it is frequently utilized as an acylating agent to introduce the 3-chloro-4-(trifluoromethoxy)benzoyl group into target molecules. This modification can impart specific chemical and physical properties to the synthesized compounds, making it valuable in drug discovery, material science, and agrochemical research. Moreover, the presence of both chlorine and trifluoromethoxy substituents enhances the reactivity and stability of the compound, facilitating efficient and selective transformations in various synthetic pathways. Overall, the synthesis of complex molecules is greatly facilitated by the strategic utilization of 3-Chloro-4-(trifluoromethoxy)benzoyl chloride as a key synthetic intermediate.