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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)-

1H-Imidazole, 1-methyl-4-nitro-

[O-][N+](=O)c1cn(cn1)C Request for Quotation
Chemical Name: 1H-Imidazole, 1-methyl-4-nitro-
CAS Number: 3034-41-1
Product Number: AG002ZTF(AGN-PC-0CAX9K)
Synonyms:
MDL No:
Molecular Formula: C4H5N3O2
Molecular Weight: 127.1014

Identification/Properties

Properties
MP:
133-134℃
BP:
328.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5000 (estimate)
Computed Properties
Molecular Weight:
127.103g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
127.038g/mol
Monoisotopic Mass:
127.038g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
122
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-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


1-Methyl-4-nitroimidazole is a versatile compound widely utilized in chemical synthesis due to its unique properties and reactivity. This compound serves as a valuable building block in the creation of various pharmaceuticals, agrochemicals, and fine chemicals. In the field of organic synthesis, 1-Methyl-4-nitroimidazole acts as a key intermediate in the construction of complex molecular structures, enabling the introduction of the nitro group into target molecules. Furthermore, its presence can facilitate the synthesis of heterocyclic compounds with diverse functionalities, making it a vital component in the development of new chemical entities with potential biological activities. As a crucial player in the realm of chemical synthesis, 1-Methyl-4-nitroimidazole offers researchers and chemists a powerful tool to access novel compounds and drive innovation in the design of advanced materials.