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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-(1,3,2-dioxaborinan-2-yl)-

N#Cc1ccccc1B1OCCCO1 Request for Quotation
Chemical Name: Benzonitrile, 2-(1,3,2-dioxaborinan-2-yl)-
CAS Number: 172732-52-4
Product Number: AG00HZL3(AGN-PC-0KVYFO)
Synonyms:
MDL No:
Molecular Formula: C10H10BNO2
Molecular Weight: 187.0029

Identification/Properties

Properties
MP:
46-56 °C(lit.)
BP:
372.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
187.005g/mol
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
187.08g/mol
Monoisotopic Mass:
187.08g/mol
Topological Polar Surface Area:
42.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
232
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

NMR Spectrum

Other Analytical Data

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Chemical Structure


A versatile building block in modern chemical synthesis, 2-(1,3,2-Dioxaborinan-2-yl)benzonitrile offers a wide array of applications across various fields. This compound serves as a valuable reagent for the creation of complex organic molecules, particularly in the realm of pharmaceuticals and materials science. Its unique structure, incorporating a boron-containing heterocycle and a benzonitrile group, enables precise functionalization and selective reactions in organic synthesis. Chemists often utilize 2-(1,3,2-Dioxaborinan-2-yl)benzonitrile as a crucial component in cross-coupling reactions, allowing for the efficient formation of carbon-carbon bonds under mild reaction conditions. Furthermore, its compatibility with a range of catalytic systems makes it a versatile tool for the synthesis of biologically active compounds, agrochemicals, and advanced materials with tailored properties. By harnessing the reactivity and selectivity of this specialized compound, researchers can expedite the development of innovative molecules with diverse applications in science and industry.