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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)-

Benzoic acid, 2-nitro-5-(1-piperazinyl)-

OC(=O)c1cc(ccc1[N+](=O)[O-])N1CCNCC1 Request for Quotation
Chemical Name: Benzoic acid, 2-nitro-5-(1-piperazinyl)-
CAS Number: 183622-35-7
Product Number: AG0027SD(AGN-PC-0N6MUN)
Synonyms:
MDL No:
Molecular Formula: C11H13N3O4
Molecular Weight: 251.2386

Identification/Properties

Computed Properties
Molecular Weight:
251.242g/mol
XLogP3:
-1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
251.091g/mol
Monoisotopic Mass:
251.091g/mol
Topological Polar Surface Area:
98.4A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
325
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


2-Nitro-5-(piperazin-1-yl)benzoic acid is a versatile compound that plays a key role in chemical synthesis processes. As a functionalized aromatic nitro compound, it serves as a valuable building block for the creation of various pharmaceuticals, agrochemicals, and fine chemicals.With its unique structure, 2-Nitro-5-(piperazin-1-yl)benzoic acid can undergo selective transformations through nitration, reduction, or nucleophilic substitution reactions. These reactions allow for the introduction of different functional groups, enabling the synthesis of diverse molecular structures with specific properties.In pharmaceutical chemistry, this compound can be utilized in the development of drug candidates targeting various biological pathways. Its nitro functionality can serve as a synthetic handle for further derivatization, leading to the creation of novel bioactive molecules with potential therapeutic applications.Moreover, in agrochemical synthesis, the versatility of 2-Nitro-5-(piperazin-1-yl)benzoic acid can be harnessed to design crop protection agents with enhanced efficacy and reduced environmental impact. By incorporating this building block into the molecular structure of pesticide or herbicide compounds, researchers can tailor their properties to target specific pests or weeds while minimizing off-target effects.Overall, the strategic use of 2-Nitro-5-(piperazin-1-yl)benzoic acid in chemical synthesis opens up opportunities for the creation of valuable compounds across different industries, showcasing its importance in the field of organic chemistry.