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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)-

3-bromo-4-iodobenzonitrile

N#Cc1ccc(c(c1)Br)I Request for Quotation
Chemical Name: 3-bromo-4-iodobenzonitrile
CAS Number: 1000577-94-5
Product Number: AG0000RK(AGN-PC-0NMP86)
Synonyms:
MDL No:
Molecular Formula: C7H3BrIN
Molecular Weight: 307.9139

Identification/Properties

Computed Properties
Molecular Weight:
307.916g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
306.849g/mol
Monoisotopic Mass:
306.849g/mol
Topological Polar Surface Area:
23.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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


3-Bromo-4-iodobenzonitrile is a versatile chemical compound widely used in chemical synthesis for various applications. In organic synthesis, it serves as a valuable building block for the preparation of complex molecules due to its reactive bromine and iodine functional groups. This compound is particularly important in the pharmaceutical industry for the development of new drugs and active pharmaceutical ingredients. Additionally, 3-Bromo-4-iodobenzonitrile is utilized in the synthesis of agrochemicals, dyes, and specialty chemicals. Its unique structure and reactivity make it a valuable intermediate in the production of a wide range of organic compounds with diverse functionalities.