Benzoyl chloride, 2-fluoro-3-(trifluoromethyl)-


Chemical Name: Benzoyl chloride, 2-fluoro-3-(trifluoromethyl)-
CAS Number: 208173-19-7
Product Number: AG002JJS(AGN-PC-0KK8LO)
Synonyms:
MDL No:
Molecular Formula: C8H3ClF4O
Molecular Weight: 226.5554

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
226.555g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
225.981g/mol
Monoisotopic Mass:
225.981g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
228
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:
Danger
UN#:
3265
Hazard Statements:
H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Fluoro-3-(trifluoromethyl)benzoyl chloride, a versatile compound widely utilized in chemical synthesis, serves as a valuable building block for numerous organic reactions. Renowned for its unique structural and reactivity properties, this compound plays a crucial role in the production of pharmaceuticals, agrochemicals, and various functional materials. Its ability to function as an acylating agent in acylation reactions, especially in the synthesis of ketones and esters, makes it an essential tool for organic chemists. Additionally, its trifluoromethyl group imparts desirable physicochemical properties to the resulting products, enhancing their biological activities or material performance in diverse applications. Through its strategic incorporation into synthetic pathways, 2-Fluoro-3-(trifluoromethyl)benzoyl chloride facilitates the development of novel compounds with tailored characteristics and functionalities.