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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-iodo-2-methoxybenzonitrile

N#Cc1cc(I)ccc1OC Request for Quotation
Chemical Name: 5-iodo-2-methoxybenzonitrile
CAS Number: 933672-32-3
Product Number: AG003MT1(AGN-PC-05W6O4)
Synonyms:
MDL No:
Molecular Formula: C8H6INO
Molecular Weight: 259.04381

Identification/Properties

Properties
MP:
122-124 °C
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
259.046g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
258.949g/mol
Monoisotopic Mass:
258.949g/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

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


5-Iodo-2-methoxybenzonitrile, also known as $name$, is a versatile chemical compound widely used in chemical synthesis processes. This compound serves as a key building block in the development of various pharmaceuticals, agrochemicals, and materials due to its unique properties and reactivity.In chemical synthesis, $name$ is commonly employed as a starting material for the preparation of complex organic molecules. It acts as a precursor in the construction of heterocyclic compounds, which are essential in the pharmaceutical industry for the development of bioactive agents. The presence of the iodo and methoxy substituents in $name$ allows for selective functionalization reactions, making it a valuable intermediate in the synthesis of diverse chemical compounds.Furthermore, the presence of the benzonitrile moiety in $name$ enables it to participate in various coupling reactions, such as Suzuki and Heck reactions, leading to the formation of C-C and C-N bonds. This reactivity expands the utility of $name$ in the synthesis of functionalized organic molecules with tailored properties for specific applications.Overall, the application of 5-Iodo-2-methoxybenzonitrile in chemical synthesis enables the efficient and selective construction of complex organic molecules, making it a valuable tool for researchers in the fields of medicinal chemistry, materials science, and agrochemical development.