1H-Indole-2-carboxylic acid, 4-methyl-


Chemical Name: 1H-Indole-2-carboxylic acid, 4-methyl-
CAS Number: 18474-57-2
Product Number: AG0037NB(AGN-PC-0L2B7T)
Synonyms:
MDL No:
Molecular Formula: C10H9NO2
Molecular Weight: 175.1840

Identification/Properties


Properties
MP:
220-221°C
BP:
419.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
175.187g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
175.063g/mol
Monoisotopic Mass:
175.063g/mol
Topological Polar Surface Area:
53.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
217
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



4-Methyl-1H-indole-2-carboxylic acid, a versatile compound used in chemical synthesis, serves as a crucial building block in the creation of various pharmaceuticals, agrochemicals, and materials. Its unique chemical structure allows for it to participate in a wide range of reactions, making it an indispensable tool for organic chemists.In the field of pharmaceuticals, 4-Methyl-1H-indole-2-carboxylic acid can be employed in the synthesis of novel drug candidates due to its ability to introduce specific structural elements into target molecules. This compound can serve as a precursor in the production of diverse classes of drugs, from anti-cancer agents to antibiotics, by undergoing transformations such as halogenation, alkylation, or cyclization.Furthermore, in agrochemical research, the utility of 4-Methyl-1H-indole-2-carboxylic acid lies in its potential as a key intermediate for the synthesis of pesticides, herbicides, and fungicides. By manipulating its chemical reactivity, scientists can access a plethora of functionalized derivatives that exhibit pesticidal properties, contributing to the development of effective crop protection solutions.In the realm of materials science, this compound finds applications in the creation of advanced materials with tailored properties. Through controlled modifications of the indole ring system, researchers can design molecular structures that exhibit desired characteristics such as luminescence, conductivity, or chirality. These tailored materials hold promise for various technological applications ranging from optoelectronics to catalysis.