Thiocyanic acid, 4-amino-3-fluorophenyl ester


Chemical Name: Thiocyanic acid, 4-amino-3-fluorophenyl ester
CAS Number: 14512-85-7
Product Number: AG001KL4(AGN-PC-0L9QMF)
Synonyms:
MDL No:
Molecular Formula: C7H5FN2S
Molecular Weight: 168.1914

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
168.189g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
168.016g/mol
Monoisotopic Mass:
168.016g/mol
Topological Polar Surface Area:
75.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
177
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Fluoro-4-thiocyanatoaniline is a versatile compound widely used in chemical synthesis for its unique properties and utility in various reactions. This compound serves as a valuable building block in the preparation of complex organic molecules due to its diverse reactivity and functionality.In chemical synthesis, 2-Fluoro-4-thiocyanatoaniline is commonly utilized as a key intermediate in the production of pharmaceuticals, agrochemicals, and fine chemicals. Its fluorine substituent imparts distinctive properties to the resulting compounds, making them valuable for medicinal applications and materials science.Furthermore, the thiocyanate group in 2-Fluoro-4-thiocyanatoaniline can participate in multiple types of chemical reactions, including nucleophilic substitution, palladium-catalyzed cross-coupling, and metal coordination, enabling the synthesis of a wide range of organic molecules with desired functionalities.Overall, the strategic incorporation of 2-Fluoro-4-thiocyanatoaniline in chemical synthesis provides chemists with a valuable tool for designing and constructing novel compounds with potential applications in various industries.