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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)-

2-bromo-6-methoxybenzonitrile

COc1cccc(c1C#N)Br Request for Quotation
Chemical Name: 2-bromo-6-methoxybenzonitrile
CAS Number: 1245647-50-0
Product Number: AG000MBX(AGN-PC-080FIQ)
Synonyms:
MDL No:
Molecular Formula: C8H6BrNO
Molecular Weight: 212.0433

Identification/Properties

Computed Properties
Molecular Weight:
212.046g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
210.963g/mol
Monoisotopic Mass:
210.963g/mol
Topological Polar Surface Area:
33A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
174
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


2-Bromo-6-methoxybenzonitrile, also known as $name$, is a versatile compound widely used in chemical synthesis. Due to its unique chemical structure, this compound is often employed as a key building block in the preparation of various pharmaceuticals, agrochemicals, and specialty chemicals. In organic synthesis, 2-Bromo-6-methoxybenzonitrile serves as an important intermediate in the formation of complex molecules through processes such as nucleophilic substitution, palladium-catalyzed cross-coupling reactions, and transition metal-catalyzed transformations. Its presence can facilitate the introduction of the bromo and methoxy functional groups into targeted molecules, thereby enabling the synthesis of diverse compounds with enhanced biological activities or specific chemical properties. In addition, 2-Bromo-6-methoxybenzonitrile's role in chemical synthesis extends to the development of novel materials for various industrial applications, highlighting its significance as a valuable tool in the realm of organic chemistry.