1H-Benzimidazole-2-carboxylic acid, 5-methyl-


Chemical Name: 1H-Benzimidazole-2-carboxylic acid, 5-methyl-
CAS Number: 99459-47-9
Product Number: AG005SBA(AGN-PC-0OP5QU)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O2
Molecular Weight: 176.1720

Identification/Properties


Properties
BP:
444.5°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
176.175g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
176.059g/mol
Monoisotopic Mass:
176.059g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
220
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



5-Methyl-1H-benzo[d]imidazole-2-carboxylic acid, also known as $name$, plays a crucial role in chemical synthesis as a versatile building block. This compound serves as an important intermediate in the synthesis of various organic molecules and pharmaceuticals due to its unique structural properties. It is commonly utilized in the preparation of complex heterocyclic compounds, which are essential in drug discovery and development. With its ability to undergo various chemical reactions, $name$ is a valuable tool for organic chemists seeking to create novel compounds with diverse applications.