Ethanone, 2-chloro-1-[4-(1,1-dimethylethyl)phenyl]-


Chemical Name: Ethanone, 2-chloro-1-[4-(1,1-dimethylethyl)phenyl]-
CAS Number: 21886-62-4
Product Number: AG00BDGM(AGN-PC-0JO88X)
Synonyms:
MDL No:
Molecular Formula: C12H15ClO
Molecular Weight: 210.6999

Identification/Properties


Properties
MP:
36 °C
BP:
300.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
210.701g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
3
Exact Mass:
210.081g/mol
Monoisotopic Mass:
210.081g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
197
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#:
1759
Hazard Statements:
H302-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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Chemical Structure



1-(4-(tert-Butyl)phenyl)-2-chloroethanone, also known as $name$, is a versatile compound widely employed in chemical synthesis. This compound serves as a valuable intermediate in the production of various organic molecules due to its unique structure and reactivity. In chemical synthesis, $name$ is commonly utilized as a key building block for the construction of complex pharmaceuticals, agrochemicals, and specialty chemicals. Its chloroethyl group provides a site for further functionalization, allowing for the introduction of diverse substituents to tailor the properties of the final compound. Moreover, the presence of the tert-butylphenyl moiety confers steric hindrance and enhances the selectivity of reactions, making $name$ an essential reagent in the synthesis of chiral compounds. Additionally, the ketone functionality in $name$ enables facile transformations, such as reduction, oxidation, and nucleophilic addition, expanding its utility in synthetic organic chemistry. Overall, the strategic incorporation of 1-(4-(tert-Butyl)phenyl)-2-chloroethanone in chemical synthesis streamlines the production of complex molecules and accelerates the discovery of novel compounds with diverse applications.