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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)-

Isoquinoline, 4-methyl-5-nitro-

[O-][N+](=O)c1cccc2c1c(C)cnc2 Request for Quotation
Chemical Name: Isoquinoline, 4-methyl-5-nitro-
CAS Number: 194032-17-2
Product Number: AG007RSQ(AGN-PC-03KP4V)
Synonyms:
MDL No:
Molecular Formula: C10H8N2O2
Molecular Weight: 188.1827

Identification/Properties

Computed Properties
Molecular Weight:
188.186g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
188.059g/mol
Monoisotopic Mass:
188.059g/mol
Topological Polar Surface Area:
58.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
227
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


4-Methyl-5-nitroisoquinoline is a versatile compound that finds significant application in chemical synthesis, particularly in the field of organic chemistry. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and fine chemicals due to its unique chemical properties.One important application of 4-Methyl-5-nitroisoquinoline is in the synthesis of complex heterocyclic compounds. By utilizing this compound as a starting material, chemists can introduce specific functional groups and stereochemistry to design and produce novel molecules with desired properties. The presence of the methyl and nitro substituents on the isoquinoline ring provides opportunities for further derivatization, enabling the synthesis of structurally diverse compounds.Additionally, 4-Methyl-5-nitroisoquinoline can be employed in the preparation of fluorescent dyes and materials. Its aromatic structure and electron-withdrawing nitro group make it a suitable candidate for the development of luminophores with unique photophysical properties. These fluorescent derivatives have applications in sensors, imaging agents, and materials science, contributing to advancements in various fields.Furthermore, the reactivity of the nitro group in 4-Methyl-5-nitroisoquinoline allows for functional group transformations, enabling chemists to access a wide range of derivatives with tailored properties. Through strategic synthetic manipulations, this compound serves as a valuable intermediate in the construction of complex molecular architectures, driving innovation in chemical synthesis and material science.In conclusion, 4-Methyl-5-nitroisoquinoline plays a crucial role in chemical synthesis by serving as a key building block for the preparation of diverse organic compounds with applications spanning from pharmaceuticals to materials science. Its versatility and reactivity make it an indispensable tool for organic chemists seeking to design and develop new molecules for various industrial and research purposes.