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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

Benzonitrile, 4-bromo-3,5-difluoro-

N#Cc1cc(F)c(c(c1)F)Br Request for Quotation
Chemical Name: Benzonitrile, 4-bromo-3,5-difluoro-
CAS Number: 123688-59-5
Product Number: AG000KYL(AGN-PC-002KM2)
Synonyms:
MDL No:
Molecular Formula: C7H2BrF2N
Molecular Weight: 217.9983

Identification/Properties

Computed Properties
Molecular Weight:
218.001g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
216.934g/mol
Monoisotopic Mass:
216.934g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
176
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Bromo-3,5-difluorobenzonitrile is a versatile chemical compound that finds crucial applications in chemical synthesis. This compound serves as a valuable building block in organic chemistry, particularly in the development of pharmaceuticals, agrochemicals, and materials science.One significant application of 4-Bromo-3,5-difluorobenzonitrile is in the synthesis of complex organic molecules. It is often used as a key intermediate in the preparation of various pharmaceutical compounds due to its unique chemical properties. By utilizing this compound in chemical reactions, chemists can efficiently introduce functional groups and structural motifs required for the synthesis of bioactive molecules.Furthermore, 4-Bromo-3,5-difluorobenzonitrile plays a crucial role in the development of new materials with specific properties. Through strategic modifications and derivatization of this compound, researchers can tailor the molecular structure to achieve desired characteristics such as solubility, stability, and reactivity. This enables the creation of innovative materials for various industrial applications, including coatings, polymers, and electronic components.Overall, the versatility of 4-Bromo-3,5-difluorobenzonitrile in chemical synthesis offers a wide range of opportunities for researchers to explore novel reactions and design efficient pathways for the synthesis of diverse chemical compounds. Its importance as a building block highlights its significance in advancing the field of organic chemistry and driving innovation in various scientific disciplines.