Benzimidazole CAS 51-17-2, Benzimidazole, CAS 51-17-2
Molecular formula: C₇H₆N₂,Molecular weight: 118.14 g/mol,Structure: The benzene ring and the imidazole ring are fused, containing two nitrogen atoms (the 1st position is pyridine type nitrogen, and the 3rd position is pyrrole type nitrogen).
51-17-2
C7H6N2
118.14
200-081-4
| CAS | 51-17-2 |
| Molecular formula | C7H6N2 |
| Molecular weight | 118.14 |
| EIENCS | 200-081-4 |
| Form | Crystalline Powder or Crystals |
| Melting point | 169-171°C |
| boling point | 360°C |
| Density | 1.1151 |
| Solubility | xylene: soluble1g in 2g (boiling)(lit.) |
| PKA | 5.532(at 25℃) |
| Color | Beige to brown |
| Storage temp | Beige to brown |
Molecular formula and structure
Molecular formula: C₇H₆N₂
Molecular weight: 118.14 g/mol
Structure: The benzene ring and the imidazole ring are fused, containing two nitrogen atoms (the 1st position is pyridine type nitrogen, and the 3rd position is pyrrole type nitrogen).
Appearance: White to grayish-white crystalline powder, weakly alkaline.
Physical and chemical properties
Melting point: 170.5°C (some literature records 169-171°C).
Boiling point: >360°C (at normal pressure).
Solubility
It is readily soluble in ethanol, hot water, acids and strong alkali solutions.
Slightly soluble in cold water and ether;
It is almost insoluble in benzene and petroleum ether.
Stability: Chemically stable, but strong oxidants and high temperatures (>35°C) should be avoided.
Toxicological data
Acute toxicity
Oral administration of LD₅₀ in rats: 500 mg/kg (poisoning level).
Oral administration of LD₅₀ in mice: 2910 mg/kg.
Mutagenicity: It has mutagenic effects on bacteria (such as Escherichia coli and Salmonella typhimurium).
1. Medical field
● Proton pump inhibitors: The core framework of anti-gastric ulcer drugs such as omeprazole and lansoprazole, they treat digestive system diseases by inhibiting gastric acid secretion.
● Anti-infective drugs
○ Antifungal: ketoconazole, clotrimazole;
○ Antiparasitic: Albendazole.
● Anti-tumor drugs
○ Abemiclib (CDK4/6 inhibitor) : Used for the treatment of breast cancer;
○ Bimemetinib (a MEK inhibitor) : For the treatment of melanoma.
2. Pesticide field
● Fungicide intermediates: Synthesize broad-spectrum fungicides such as carbendazim and benomyl to control fungal diseases in crops.
● Preservative: Delays the aging of fruits and vegetables and maintains the activity of chlorophyll.
3. Industrial and scientific research purposes
● Cobalt ion detection: Used as a colorimetric reagent for the quantitative analysis of cobalt.
● Polymer materials: Polybenzimidazole (PBI) is used in high-temperature resistant fibers and fuel cell electrolytes.
● Developing anti-fogging agent: Added to the black-and-white film developing solution (concentration should be controlled at ≤1g/L).
Acute toxicity
Oral administration of LD₅₀ in rats: 500 mg/kg (poisoning level).
Oral administration of LD₅₀ in mice: 2910 mg/kg.
Mutagenicity: It has mutagenic effects on bacteria (such as Escherichia coli and Salmonella typhimurium).
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