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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, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

N#Cc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C Request for Quotation
Chemical Name: Benzonitrile, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number: 870238-67-8
Product Number: AG0033AZ(AGN-PC-093LOI)
Synonyms:
MDL No:
Molecular Formula: C13H15BFNO2
Molecular Weight: 247.0731

Identification/Properties

Properties
BP:
346.6±32.0°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
247.076g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
247.118g/mol
Monoisotopic Mass:
247.118g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
360
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#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile is a versatile compound widely utilized in chemical synthesis for its unique reactivity and functional group compatibility. This compound serves as an essential building block in the formation of complex organic molecules due to its ability to participate in various cross-coupling reactions. In particular, it is commonly employed in Suzuki-Miyaura cross-coupling reactions to introduce the fluorobenzonitrile motif into target molecules. Additionally, 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile can undergo further functionalization to introduce diverse substituents, making it a valuable tool in the synthesis of pharmaceuticals, agrochemicals, and materials with tailored properties. Its stability and compatibility with a range of reaction conditions make it a valuable reagent for organic chemists seeking to streamline synthetic routes and access complex molecular architectures.