Benzonitrile, 2,6-difluoro-3-nitro-


Chemical Name: Benzonitrile, 2,6-difluoro-3-nitro-
CAS Number: 143879-77-0
Product Number: AG001IJM(AGN-PC-0KK88O)
Synonyms:
MDL No: MFCD00042254
Molecular Formula: C7H2F2N2O2
Molecular Weight: 184.0998

Identification/Properties


Properties
MP:
50 °C
BP:
263.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
184.102g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
184.008g/mol
Monoisotopic Mass:
184.008g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
257
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


Other Analytical Data


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Chemical Structure



2,6-Difluoro-3-nitrobenzonitrile is a versatile compound widely used in chemical synthesis as a key intermediate. Its unique molecular structure enables it to participate in various reactions to produce a range of valuable derivatives. One common application of 2,6-Difluoro-3-nitrobenzonitrile is in the synthesis of pharmaceuticals, agrochemicals, and functional materials. It serves as a building block for the preparation of biologically active compounds and complex organic molecules. Additionally, this compound can be employed in the development of dyes, polymers, and other fine chemicals. Its significance in the field of organic chemistry lies in its ability to introduce specific functional groups into target molecules, thus enabling the creation of diverse and specialized chemical entities.