5-Nitrobenzimidazole
TL;DR: 5-Nitrobenzimidazole (CAS 94-52-0) is a chemical compound with molecular formula C7H5N3O2 and molecular weight 163.03818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitro-1H-benzimidazole
Also Known As: 5-NITROBENZIMIDAZOLE, 6-Nitrobenzimidazole, 5-Nitro-1H-benzimidazole, 5-nitro-1H-benzo[d]imidazole, 6-Nitro-benzimidazole
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.03818 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.03818 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| Melting Point | 405 to 408 °F (NTP, 1992) |
| Vapor Pressure | 0.00000017 [mmHg] |
| Solubility | less than 0.1 mg/mL at 61.7 °F (NTP, 1992) |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC=N2 |
| InChIKey | XPAZGLFMMUODDK-UHFFFAOYSA-N |
Product Description
Applications: 5-Nitrobenzimidazole is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
5-Nitrobenzimidazole is a photographic chemical identified by CAS number 94-52-0 and the molecular formula C7H5N3O2 and a molecular weight of 163.04 g/mol. Physically, the compound has a solubility: less than 0.1 mg/mL at 61.7 °F (NTP, 1992). Synonyms include 5-NITROBENZIMIDAZOLE and 6-Nitrobenzimidazole.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-Nitrobenzimidazole
Property Insights of 5-Nitrobenzimidazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrobenzimidazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrobenzimidazole. Following Lipinski's Rule of Five, 5-Nitrobenzimidazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Nitrobenzimidazole?
The CAS number of 5-Nitrobenzimidazole is 94-52-0.
What is the molecular formula of 5-Nitrobenzimidazole?
The molecular formula of 5-Nitrobenzimidazole is C7H5N3O2.
What is the molecular weight of 5-Nitrobenzimidazole?
The molecular weight of 5-Nitrobenzimidazole is 163.03818 g/mol.
What are the applications of 5-Nitrobenzimidazole?
5-Nitrobenzimidazole is used in imaging, photographic, and photosensitive formulations, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 5-Nitrobenzimidazole?
You can request a quote for 5-Nitrobenzimidazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Nitrobenzimidazole?
Yes, CoreyChem provides custom synthesis services for 5-Nitrobenzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.