Benzenamine, 3,5-difluoro-2-nitro-


Chemical Name: Benzenamine, 3,5-difluoro-2-nitro-
CAS Number: 361-72-8
Product Number: AG00BYSD(AGN-PC-0JNBZA)
Synonyms:
MDL No:
Molecular Formula: C6H4F2N2O2
Molecular Weight: 174.1050

Identification/Properties


Computed Properties
Molecular Weight:
174.107g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
174.024g/mol
Monoisotopic Mass:
174.024g/mol
Topological Polar Surface Area:
71.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
185
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



3,5-Difluoro-2-nitroaniline is a versatile compound widely used in chemical synthesis due to its unique properties and reactivity. In organic chemistry, it serves as a valuable building block for the preparation of various pharmaceuticals, agrochemicals, and functional materials. This compound is particularly valued for its ability to introduce both fluorine and nitro groups into organic molecules simultaneously, allowing for the synthesis of more complex and diverse chemical structures.One key application of 3,5-Difluoro-2-nitroaniline is in the synthesis of fluorinated aromatic compounds, which are important in medicinal chemistry for enhancing drug potency and metabolic stability. The presence of fluorine atoms in the molecule can also influence the physicochemical properties of the final compound, such as lipophilicity and solubility, contributing to improved bioavailability.Additionally, 3,5-Difluoro-2-nitroaniline can participate in various reactions to afford a range of functionalized derivatives. Its nitro group can undergo reduction to yield the corresponding aniline derivative, which can then be further modified or utilized in the synthesis of dyes, pigments, and organic intermediates. The versatility of this compound makes it a valuable tool in the hands of synthetic chemists for designing and accessing new chemical entities with diverse applications.