Cas no 10351-76-5 (5-methyl-1H-1,3-benzodiazole-6-carboxylic acid)

5-Methyl-1H-1,3-benzodiazole-6-carboxylic acid is a heterocyclic organic compound featuring a benzodiazole core substituted with a methyl group at the 5-position and a carboxylic acid moiety at the 6-position. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. The carboxylic acid group enables further functionalization through amidation, esterification, or metal complexation, while the benzodiazole scaffold contributes to potential biological activity. Its well-defined reactivity and stability make it suitable for use in medicinal chemistry research, where it may serve as a precursor for bioactive molecules or ligands in catalytic systems. The compound is typically handled under standard laboratory conditions.
5-methyl-1H-1,3-benzodiazole-6-carboxylic acid structure
10351-76-5 structure
Product Name:5-methyl-1H-1,3-benzodiazole-6-carboxylic acid
CAS No:10351-76-5
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD22194322
CID:86388
PubChem ID:23000204
Update Time:2025-06-10

5-methyl-1H-1,3-benzodiazole-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-5-carboxylicacid,6-methyl-(9CI)
    • 1H-Benzimidazole-5-carboxylicacid, 6-methyl-
    • 6-Methylbenzimidazole-5-carboxylic acid hydrochloride
    • 6-methyl-1H-benzimidazole-5-carboxylic acid
    • 1H-Benzimidazole-5-carboxylicacid,6-methyl
    • 6-methyl-5-benzimidazole carboxylic acid
    • 6-Methylbenzimidazol-5-carbonsaeure
    • BEN033
    • 5-methyl-1H-1,3-benzodiazole-6-carboxylic acid
    • 5-Methyl-1H-benzo[d]imidazole-6-carboxylicacid
    • DTXSID10629483
    • AS-81228
    • 5-Methyl-1H-benzo[d]imidazole-6-carboxylic acid
    • ZHZZGQXASQPFLC-UHFFFAOYSA-N
    • SCHEMBL1871362
    • CS-0440107
    • FT-0736282
    • 10351-76-5
    • DB-050066
    • MDL: MFCD22194322
    • Inchi: 1S/C9H8N2O2/c1-5-2-7-8(11-4-10-7)3-6(5)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
    • InChI Key: ZHZZGQXASQPFLC-UHFFFAOYSA-N
    • SMILES: OC(C1=CC2=C(C=C1C)NC=N2)=O

Computed Properties

  • Exact Mass: 212.03500
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 13
  • XLogP3: 1.4
  • Topological Polar Surface Area: 66?2

Experimental Properties

  • Color/Form: Not available
  • Melting Point: 303-306°C
  • Boiling Point: 519.2°C at 760 mmHg
  • Flash Point: 267.8°C
  • PSA: 65.98000
  • LogP: 2.37150
  • Solubility: Not available

5-methyl-1H-1,3-benzodiazole-6-carboxylic acid Security Information

  • Safety Instruction: S26-S37
  • Risk Phrases:R36/37/38

5-methyl-1H-1,3-benzodiazole-6-carboxylic acid Pricemore >>

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Additional information on 5-methyl-1H-1,3-benzodiazole-6-carboxylic acid

Comprehensive Overview of 5-methyl-1H-1,3-benzodiazole-6-carboxylic acid (CAS No. 10351-76-5)

5-methyl-1H-1,3-benzodiazole-6-carboxylic acid (CAS No. 10351-76-5) is a heterocyclic organic compound with significant relevance in pharmaceutical and biochemical research. This compound, often referred to as a benzodiazole derivative, has garnered attention due to its potential applications in drug discovery and material science. Its molecular structure features a benzodiazole core substituted with a methyl group and a carboxylic acid functionality, making it a versatile intermediate for synthesizing more complex molecules.

In recent years, the demand for 5-methyl-1H-1,3-benzodiazole-6-carboxylic acid has increased, particularly in the context of small molecule therapeutics and bioconjugation. Researchers are exploring its role in designing enzyme inhibitors and fluorescent probes, which are critical tools in modern biochemistry. The compound's unique structure allows it to interact with biological targets, such as proteins and nucleic acids, making it a valuable asset in medicinal chemistry.

One of the most frequently asked questions about 5-methyl-1H-1,3-benzodiazole-6-carboxylic acid is its synthesis pathway. The compound can be synthesized through multi-step organic reactions, including cyclization and functional group interconversion. Its carboxylic acid group provides a handle for further derivatization, enabling the creation of amides, esters, and other derivatives. This flexibility has made it a popular choice for high-throughput screening in drug development.

The compound's physicochemical properties are also a topic of interest. With a molecular weight of 176.17 g/mol, 5-methyl-1H-1,3-benzodiazole-6-carboxylic acid exhibits moderate solubility in polar solvents like DMSO and methanol. Its melting point and stability under various conditions are critical for its handling and storage, ensuring its integrity in experimental settings.

Another area where 5-methyl-1H-1,3-benzodiazole-6-carboxylic acid shines is in material science. Its aromatic system and heteroatom incorporation make it a candidate for designing organic semiconductors and photovoltaic materials. Researchers are investigating its potential in optoelectronic devices, leveraging its ability to absorb and emit light in specific wavelengths.

From an SEO perspective, queries related to "benzodiazole derivatives" and "CAS 10351-76-5 applications" are trending, reflecting the growing interest in this compound. Users often search for "5-methyl-1H-1,3-benzodiazole-6-carboxylic acid supplier" or "synthesis methods for benzodiazole carboxylic acids," indicating its commercial and academic significance. By addressing these topics, this article aims to provide a comprehensive resource for researchers and industry professionals.

In conclusion, 5-methyl-1H-1,3-benzodiazole-6-carboxylic acid (CAS No. 10351-76-5) is a multifaceted compound with broad applications in pharmaceuticals, biochemistry, and material science. Its unique structural features and functional groups make it a valuable building block for innovative research. As the scientific community continues to explore its potential, this compound is poised to play a pivotal role in advancing drug discovery and technological innovation.

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