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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-methyl-5-nitro-

N#Cc1cc(ccc1C)N(=O)=O Request for Quotation
Chemical Name: Benzonitrile, 2-methyl-5-nitro-
CAS Number: 939-83-3
Product Number: AG003HNO(AGN-PC-0JQ8V6)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1454

Identification/Properties

Properties
MP:
103.5-107.5 °C(lit.)
BP:
291.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5770 (estimate)
Solubility:
ethanol: soluble(lit.)
Computed Properties
Molecular Weight:
162.148g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
162.043g/mol
Monoisotopic Mass:
162.043g/mol
Topological Polar Surface Area:
69.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
225
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-Methyl-5-nitrobenzonitrile, also known as 2-Methyl-5-nitrobenzyl cyanide, is a versatile chemical compound commonly used in organic synthesis. This compound serves as a key intermediate in the production of various pharmaceuticals, agrochemicals, and dyes, due to its unique chemical properties.In chemical synthesis, 2-Methyl-5-nitrobenzonitrile is commonly used as a precursor in the preparation of substituted benzimidazoles, which are essential building blocks in the synthesis of various bioactive compounds. By utilizing the nitro functionality of the compound, chemists can introduce a wide range of functional groups to the benzimidazole core, enabling the synthesis of diverse molecules with potential applications in medicinal chemistry.Moreover, 2-Methyl-5-nitrobenzonitrile can also be employed in the preparation of heterocyclic compounds through cyclization reactions. The presence of the nitrile group in the molecule enables the formation of new carbon-nitrogen bonds, allowing for the creation of complex ring structures in organic molecules.Overall, the application of 2-Methyl-5-nitrobenzonitrile in chemical synthesis showcases its significance as a valuable building block for the construction of diverse organic compounds with potential pharmaceutical, agricultural, and industrial applications.