Benzimidazole
Benzimidazole
CAS: 51-17-2
Molecular Formula: C7H6N2
Benzimidazole - Names and Identifiers
| Name | Benzimidazole |
| Synonyms | Benzimidazol BENZIMIDAZOLE Benzimidazole 1,3-Diazaindene 1H-BENZIMIDAZOLE 1,3-BENZODIAZOLE AKOS BBS-00004349 TIMTEC-BB SBB004294 1H-BENZO[D]IMIDAZOLE N,N'-O-PHENYLENEFORMAMIDINE |
| CAS | 51-17-2 |
| EINECS | 200-081-4 |
| InChI | InChI=1/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9) |
| InChIKey | HYZJCKYKOHLVJF-UHFFFAOYSA-N |
Benzimidazole - Physico-chemical Properties
| Molecular Formula | C7H6N2 |
| Molar Mass | 118.14 |
| Density | 1.1151 (rough estimate) |
| Melting Point | 169-171 °C (lit.) |
| Boling Point | 360 °C |
| Flash Point | 360°C |
| Water Solubility | sparingly soluble |
| Solubility | xylene: soluble1g in 2g (boiling)(lit.) |
| Appearance | Crystalline Powder or Crystals |
| Color | Beige to brown |
| Maximum wavelength(λmax) | ['271nm(MeOH)(lit.)'] |
| Merck | 14,1081 |
| BRN | 109682 |
| pKa | 5.532(at 25℃) |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Combustible. Incompatible with strong oxidising agents. |
| Sensitive | Easily absorbing moisture |
| Refractive Index | 1.5500 (estimate) |
| MDL | MFCD00005585 |
| Physical and Chemical Properties | Colorless crystals. Melting point 170 °c. Boiling point above 360c. Almost insoluble in benzene, petroleum ether, slightly soluble in cold water, ether, slightly soluble in hot water, soluble in ethanol, acid solution, strong alkali solution. |
| Use | For the synthesis of vitamin B12 and other drugs and the preparation of high molecular compounds |
Benzimidazole - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S37/39 - Wear suitable gloves and eye/face protection S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| RTECS | DD5425000 |
| TSCA | Yes |
| HS Code | 29339990 |
| Hazard Note | Irritant |
| Toxicity | LD50 oral in mouse: 2910mg/kg |
Benzimidazole - Reference
| Reference Show more | Sun Daowang, Yin Guifang, Lu Wenjie et al. Pathogen identification and pathogenicity determination of oat powdery mildew in Yunnan province [J]. Journal of Plant Protection 2017(04):617-622. |
Benzimidazole - Nature
Open Data Verified Data
white orthorhombic and monoclinic crystals. Melting point 170.5 °c, boiling point> 360c. Soluble in hot water, alcohol, boiling xylene, acid and alkali aqueous solution, slightly soluble in cold water and ether, almost insoluble in benzene and petroleum ether. It has good chemical stability.
Last Update：2024-01-02 23:10:35
Benzimidazole - Preparation Method
Open Data Verified Data
obtained by cyclization of O-phenylenediamine with formic acid. The mixture of O-Phenylenediamine and formic acid was heated on a water bath for 2H, cooled, adjusted to pH = 10 with 10% sodium hydroxide solution, and the precipitated solid was filtered off and washed with cold water to give a crude product in 90% yield. The crude product is slightly boiled with water, decolorized with activated carbon, filtered while hot, the filtrate is cooled to room temperature, filtered again, washed with cold water, and dried at 100 ° C. To obtain the benzimidazole finished product.
Last Update：2022-01-01 10:57:17
Benzimidazole - Introduction
It is weakly alkaline, slightly soluble in cold water and acetaldehyde, slightly soluble in hot water, easily soluble in ethanol and boiling xylene; acid and strong alkali aqueous solution, almost insoluble in benzene and petroleum ether. It has good chemical stability.
Last Update：2022-10-16 17:25:40
Benzimidazole - Use
Open Data Verified Data
intermediates for the synthesis of cefimidazole and clotrimazole.
Last Update：2022-01-01 10:57:17
Benzimidazole - Safety
Open Data Verified Data
25kg bag or barrel, lined with plastic bag.
Last Update：2022-01-01 10:57:17
Benzimidazole - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | benzimidazole can be used to prepare imidazole, an intermediate of fungicides such as imidazole and prochloraz. Organic synthesis intermediates. Reagents for the determination of cobalt. It is used to synthesize drugs such as vitamin B12 and prepare high molecular compounds. Pesticide intermediate: fungicide intermediate: triazole fungicide |
| Production method | is obtained by cyclizing o-phenylenediamine and formic acid. The mixture of o-phenylenediamine and formic acid is heated in a water bath for 2 hours, cooled, adjusted the pH to 10 with 10% sodium hydroxide solution, filtered out the precipitated solid, and washed with cold water to obtain crude product. The crude product is slightly boiled with water, decolorized with activated carbon, filtered while hot, the filtrate is cooled to room temperature, filtered, washed with cold water, and dried at 100 ℃ to obtain the finished product. The yield of crude products is 90%. the preparation method is to add the crushed o-phenylenediamine into the reaction kettle, then pump into formic acid, keep the reaction temperature from 95 ℃ to 98 ℃, stir for 2 hours, cool and precipitate crystals, then neutralize to slightly alkaline with 10% NaOH, cool and filter, wash with water and dry to obtain benzimidazole. |
| category | pesticide |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 500 mg/kg; Oral-mouse LD50: 2910 mg/kg |
| flammability hazard characteristics | combustible; combustion produces toxic nitrogen oxide smoke |
| storage and transportation characteristics | ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:11:58
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