6-Nitrobenzimidazole (CAS 94-52-0) — formula C7H5N3O2, molecular weight 163.13; category organic chemicals.
| CAS Number | 94-52-0 |
|---|---|
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.13 |
| Melting Point | 405 to 408 °F (NTP, 1992) |
| LogP | 1.5 |
| Category | Organic Chemicals |
6-Nitrobenzimidazole is a carbon-based organic compound with CAS registry number 94-52-0 and molecular formula C7H5N3O2 (molecular weight 163.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 94-52-0
Its molecular formula C7H5N3O2 comprises 7 C, 5 H, 3 N, 2 O atoms.
Also known as: 6-Nitrobenzimidazole · 6-硝基苯并咪唑
Category: organic chemicals
The CAS registry number of 6-Nitrobenzimidazole is 94-52-0.
Molecular formula C7H5N3O2, molecular weight 163.13.
It is also registered under: 6-Nitrobenzimidazole, 6-硝基苯并咪唑.
Category: Organic Chemicals.
Independent reference data for 6-Nitrobenzimidazole (CAS 94-52-0), compiled from public chemistry databases.
| CAS Registry Number | 94-52-0 |
|---|---|
| PubChem CID | 7195 |
| Molecular formula | C7H5N3O2 |
| IUPAC name | 6-nitro-1H-benzimidazole |
| UNII (FDA) | A7V95AYT2T |
| Molecular Weight | 163.13 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 163.038176411 |
| Monoisotopic Mass | 163.038176411 |
| Topological Polar Surface Area | 74.5 |
| Heavy Atom Count | 12 |
| Melting Point | 405 to 408 °F (NTP, 1992) |
|---|---|
| Melting Point | 203 °C |
| Melting Point | MP: 209-210 °C |
| Vapor Pressure | 0.00000017 [mmHg] |
| LogP | 1.5 |
| Ionization Efficiency | 3.14 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | DOI:10.1038/s41598-020-62573-z |
5-NITROBENZIMIDAZOLE; 94-52-0; 6-Nitrobenzimidazole; 5-Nitro-1H-benzimidazole; 1H-Benzimidazole, 5-nitro-; 1H-Benzimidazole, 6-nitro-; 5(6)-Nitrobenzimidazole; 6-Nitro-benzimidazole; Benzimidazole, 5-nitro-; Benzimidazole, 6-nitro-; NCI-C01912; CCRIS 442; DTXSID8020965; HSDB 2864; NSC 3068; EINECS 202-341-2
| Reported hazard statements | H315 (83.7%), H319 (83.7%), H335 (83.7%), H351 (10.2%), H412 (10.2%) |
|---|
H315 (83.7%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (83.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
6-Nitrobenzimidazole · CAS 94-52-0 · C7H5N3O2. UNII A7V95AYT2T. Melting Point: 405 to 408 °F (NTP, 1992); Melting Point: 203 °C; Melting Point: MP: 209-210 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 6-硝基苯并咪唑