Ethanimidoyl chloride, 2,2,2-trifluoro-N-phenyl-


Chemical Name: Ethanimidoyl chloride, 2,2,2-trifluoro-N-phenyl-
CAS Number: 61881-19-4
Product Number: AG003F7E(AGN-PC-0MY216)
Synonyms:
MDL No:
Molecular Formula: C8H5ClF3N
Molecular Weight: 207.5802

Identification/Properties


Properties
BP:
175.398°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Refractive Index:
1.4750-1.4800
Computed Properties
Molecular Weight:
207.58g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
207.006g/mol
Monoisotopic Mass:
207.006g/mol
Topological Polar Surface Area:
12.4A^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:
Danger
UN#:
2924
Hazard Statements:
H226-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
3,8
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



2,2,2-Trifluoro-N-phenylethanimidoyl chloride is a versatile chemical reagent commonly used in chemical synthesis for its unique properties and reactivity. This compound serves as a key building block in organic chemistry, particularly in the formation of various functionalized derivatives. Its application in the synthesis of pharmaceuticals, agrochemicals, and advanced materials makes it an essential tool for researchers and industrial chemists alike.One of the primary uses of 2,2,2-Trifluoro-N-phenylethanimidoyl chloride is in the preparation of fluorinated organic compounds. The presence of trifluoromethyl and phenyl groups in its structure imparts valuable characteristics to the resulting molecules, such as increased lipophilicity and metabolic stability. This compound is particularly valuable in medicinal chemistry for enhancing drug potency and selectivity.Furthermore, 2,2,2-Trifluoro-N-phenylethanimidoyl chloride is often employed in the construction of complex molecules through processes like amide bond formation and fluorination reactions. Its high reactivity towards nucleophiles enables the facile introduction of the trifluoromethyl moiety into diverse chemical scaffolds, leading to the synthesis of novel molecules with tailored properties.In summary, the versatile nature of 2,2,2-Trifluoro-N-phenylethanimidoyl chloride makes it a valuable tool in chemical synthesis, enabling the efficient preparation of fluorinated compounds with enhanced properties for various applications in the fields of pharmaceuticals, agrochemicals, and materials science.