Benzoic acid, 3,5-diamino-4-methyl-


Chemical Name: Benzoic acid, 3,5-diamino-4-methyl-
CAS Number: 6633-36-9
Product Number: AG006NBQ(AGN-PC-0JOIET)
Synonyms:
MDL No:
Molecular Formula: C8H10N2O2
Molecular Weight: 166.1772

Identification/Properties


Properties
BP:
453.3°C at 760 mmHg
Storage:
Light sensitive;Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
166.18g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
166.074g/mol
Monoisotopic Mass:
166.074g/mol
Topological Polar Surface Area:
89.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
172
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:
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



3,5-Diamino-4-methylbenzoic acid, also known as $name$, is a versatile compound widely used in chemical synthesis. This compound plays a crucial role as a building block in the creation of various organic molecules. Its unique structure and properties make it a valuable intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals.In chemical synthesis, 3,5-Diamino-4-methylbenzoic acid is commonly employed in the production of heterocyclic compounds. By reacting with different reagents and catalysts, this compound can undergo various transformations to form complex structures with desirable properties. Its amino groups and aromatic ring make it a suitable starting material for the preparation of diverse chemical entities.Furthermore, 3,5-Diamino-4-methylbenzoic acid participates in the synthesis of dyes and pigments, where its aromatic moiety imparts color and stability to the final products. The ability of this compound to undergo selective functionalization reactions makes it an attractive candidate for use in designing new chromophores with enhanced properties.Overall, the application of 3,5-Diamino-4-methylbenzoic acid in chemical synthesis extends to a wide range of industries, contributing to the development of innovative materials and compounds with diverse functionalities.