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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, 4-amino-3-nitro-, ethyl ester

CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])N Request for Quotation
Chemical Name: Benzoic acid, 4-amino-3-nitro-, ethyl ester
CAS Number: 76918-64-4
Product Number: AG0057QD(AGN-PC-0KNXJM)
Synonyms:
MDL No:
Molecular Formula: C9H10N2O4
Molecular Weight: 210.1867

Identification/Properties

Properties
BP:
398.5°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Computed Properties
Molecular Weight:
210.189g/mol
XLogP3:
1.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
210.064g/mol
Monoisotopic Mass:
210.064g/mol
Topological Polar Surface Area:
98.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
251
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum

Other Analytical Data

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Chemical Structure


Ethyl 4-amino-3-nitrobenzoate is a versatile compound commonly used in chemical synthesis as a key intermediate in the production of various pharmaceuticals, dyes, and agrochemicals. Its unique chemical structure allows for selective functional group transformations, making it a valuable building block in organic synthesis.In the field of medicinal chemistry, Ethyl 4-amino-3-nitrobenzoate is utilized in the synthesis of potential drug candidates, particularly those targeting bacterial and fungal infections. Its nitro and amino groups can be selectively modified to introduce specific pharmacophores, enhancing the compound's therapeutic potential and optimizing its biological activity.Furthermore, in dye synthesis, Ethyl 4-amino-3-nitrobenzoate serves as a precursor for the preparation of azo dyes, which are widely used in textile, leather, and printing industries. By incorporating this compound into the dye synthesis process, chemists can harness its reactivity to achieve a diverse range of vibrant color shades and properties.Additionally, in agrochemical research, Ethyl 4-amino-3-nitrobenzoate plays a crucial role in the development of novel pesticides and herbicides. Its chemical structure can be modified to impart specific pesticide activities, improving crop protection and pest management strategies in agriculture.Overall, the application of Ethyl 4-amino-3-nitrobenzoate in chemical synthesis demonstrates its significance as a versatile intermediate with broad utility across various industries, driving innovation and advancement in the field of organic chemistry.