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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)-

5-Bromo-2,4-difluorobenzonitrile

N#Cc1cc(Br)c(cc1F)F Request for Quotation
Chemical Name: 5-Bromo-2,4-difluorobenzonitrile
CAS Number: 1260879-25-1
Product Number: AG009WWE(AGN-PC-0WNP68)
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:
188
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


5-Bromo-2,4-difluorobenzonitrile, also known as $name$, is a versatile compound that finds widespread application in chemical synthesis. Its unique molecular structure makes it a valuable building block for the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals. One key application of 5-Bromo-2,4-difluorobenzonitrile is as a key intermediate in the synthesis of novel bioactive molecules. By serving as a precursor in multistep synthesis processes, this compound enables the creation of complex and structurally diverse organic compounds with tailored properties and functions. Its chemical reactivity and compatibility with a variety of reaction conditions make it a valuable tool for synthetic chemists seeking to access new chemical space and develop innovative molecular structures. Through its strategic incorporation into synthetic routes, 5-Bromo-2,4-difluorobenzonitrile plays a crucial role in advancing the fields of medicinal chemistry, materials science, and beyond.