Benzoic acid, 2-(methylamino)-5-nitro-


Chemical Name: Benzoic acid, 2-(methylamino)-5-nitro-
CAS Number: 3484-33-1
Product Number: AG007H77(AGN-PC-0JU8HV)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O4
Molecular Weight: 196.1601

Identification/Properties


Computed Properties
Molecular Weight:
196.162g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
196.048g/mol
Monoisotopic Mass:
196.048g/mol
Topological Polar Surface Area:
95.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
238
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

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NMR Spectrum


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Chemical Structure



2-(Methylamino)-5-nitrobenzoic acid, also known as Methyl Yellow, is a versatile compound widely used in chemical synthesis. This compound plays a crucial role as a reagent in organic chemistry reactions, particularly in the preparation of various dyes and pharmaceuticals. Its unique chemical structure allows it to participate in a wide range of transformations, making it a valuable tool for synthetic chemists. Additionally, 2-(Methylamino)-5-nitrobenzoic acid exhibits strong color properties, which make it useful in colorimetric assays and spectrophotometric analyses. In the realm of chemical synthesis, this compound is prized for its ability to facilitate complex reactions and its contribution to the development of new molecules with diverse applications.