Benzimidazolylacetonitrile
Benzimidazolylacetonitrile
CAS: 4414-88-4
Molecular Formula: C9H7N3
Benzimidazolylacetonitrile - Names and Identifiers
| Name | Benzimidazolylacetonitrile |
| Synonyms | Benzimidazolylacetonitrile 2-(Cyanomethyl)benzimidazole 2-nitrile methylbenzimidazole 1h-benzimidazole-2-acetonitrile 2-Kyanmethylbenzimidazol [Czech] 1H-benzimidazol-2-ylacetonitrile 2-Kyanmethylbenzimidazol [Czech] 1H-Benzimidazole-2-acetonitrile(9CI) 2-(1H-benzimidazol-2-yl)ethanenitrile |
| CAS | 4414-88-4 |
| EINECS | 224-574-9 |
| InChI | InChI=1/C9H7N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2,(H,11,12) |
| InChIKey | BWOVACANEIVHST-UHFFFAOYSA-N |
Benzimidazolylacetonitrile - Physico-chemical Properties
| Molecular Formula | C9H7N3 |
| Molar Mass | 157.17 |
| Density | 1.2279 (rough estimate) |
| Melting Point | 200-205°C (dec.)(lit.) |
| Boling Point | 271.83°C (rough estimate) |
| Flash Point | 142.5°C |
| Water Solubility | Insoluble in water. |
| Vapor Presure | 6.36E-08mmHg at 25°C |
| Appearance | Bright light brown fine crystal |
| Color | White to Brown |
| BRN | 128461 |
| pKa | 11.01±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5330 (estimate) |
| MDL | MFCD00005601 |
| Physical and Chemical Properties | Brown granules or powder |
| Use | For synthetic dyes, pigments |
Benzimidazolylacetonitrile - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection S24/25 - Avoid contact with skin and eyes. |
| UN IDs | 3276 |
| WGK Germany | 3 |
| RTECS | DD5650000 |
| TSCA | Yes |
| HS Code | 29332900 |
| Hazard Class | 6.1 |
| Packing Group | III |
| Toxicity | LD50 ivn-mus: 56 mg/kg CSLNX* NX#04148 |
Benzimidazolylacetonitrile - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | 2-cyanomethylbenzimidazole can be used as a pharmaceutical intermediate and an organic synthesis intermediate, mainly used in laboratory research and development process and chemical production process. |
| Use | Used for synthetic dyes, pigments, etc. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | vein-mouse LD50: 56 mg/kg |
| flammability hazard characteristics | combustible; combustion produces toxic nitrogen oxide smoke |
| storage and transportation characteristics | ventilation and low temperature drying; separate from warehouse food raw materials |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-10 22:29:15
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