94-52-0 | 5-Nitro-1H-1,3-benzodiazole

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$16.00	$11.00
5g	97%	in stock	$21.00	$15.00
25g	97%	in stock	$42.00	$30.00
100g	97%	in stock	$106.00	$75.00
250g	97%	in stock	$233.00	$163.00
500g	97%	in stock	$387.00	$271.00

Description

• Catalog Number: AI01162
• Chemical Name: 5-Nitro-1H-1,3-benzodiazole
• CAS Number: 94-52-0
• Molecular Formula: C7H5N3O2
• Molecular Weight: 163.1335
• MDL Number: MFCD00005604
• SMILES: O=N(=O)c1ccc2c(c1)nc[nH]2

Computed Properties

• Complexity: 192
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• XLogP3: 1.6

Upstream Synthesis Route

The 1H-Benzimidazole, 6-nitro- compound is a versatile building block in chemical synthesis, commonly utilized for its unique properties and reactivity. With its nitro group at the 6th position on the benzimidazole ring, this compound serves as a valuable precursor in the development of various pharmaceuticals, agrochemicals, and materials.In organic synthesis, 1H-Benzimidazole, 6-nitro- can be employed as a key intermediate in the preparation of a wide range of bioactive molecules. The nitro group can undergo reduction to an amino group, allowing for further functionalization of the molecule. Additionally, this compound can participate in nucleophilic substitution reactions, leading to the formation of diverse chemical structures with varied functionalities.Moreover, the presence of the benzimidazole scaffold confers desirable properties such as bioavailability and interaction with biological targets. This makes 1H-Benzimidazole, 6-nitro- an attractive starting material for the design and synthesis of potential drug candidates targeting diseases such as cancer, infectious diseases, and neurological disorders.Overall, the application of 1H-Benzimidazole, 6-nitro- in chemical synthesis offers a promising avenue for the development of novel compounds with therapeutic and industrial relevance.

Literature

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  Bioorganic & medicinal chemistry 20120215

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