2,5-Difluoro-3-methylbenzonitrile


Chemical Name: 2,5-Difluoro-3-methylbenzonitrile
CAS Number: 1003712-20-6
Product Number: AG0001SD(AGN-PC-07A7SS)
Synonyms:
MDL No:
Molecular Formula: C8H5F2N
Molecular Weight: 153.1288

Identification/Properties


Computed Properties
Molecular Weight:
153.132g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
153.039g/mol
Monoisotopic Mass:
153.039g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
184
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



2,5-Difluoro-3-methylbenzonitrile is a valuable chemical compound widely used in the field of chemical synthesis. This compound serves as a versatile building block in organic chemistry, particularly in the creation of pharmaceuticals, agrochemicals, and materials science. Due to its unique structural properties, 2,5-Difluoro-3-methylbenzonitrile is employed as a key intermediate in the synthesis of various complex molecules.In chemical synthesis, this compound can undergo a range of reactions to introduce specific functional groups, making it a crucial component in the development of new compounds with enhanced properties. One common application of 2,5-Difluoro-3-methylbenzonitrile is in the formation of heterocycles through cyclization reactions. Additionally, it can participate in cross-coupling reactions to form carbon-carbon bonds, expanding its utility in creating structurally diverse molecules.Overall, the use of 2,5-Difluoro-3-methylbenzonitrile in chemical synthesis facilitates the efficient production of advanced organic compounds with tailored characteristics for pharmaceutical, agrochemical, and materials applications.