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| | 2-(Cyanomethyl)benzimidazole Basic information |
| | 2-(Cyanomethyl)benzimidazole Chemical Properties |
| Melting point | 200-205 °C (dec.)(lit.) | | Boiling point | 271.83°C (rough estimate) | | density | 1.2279 (rough estimate) | | refractive index | 1.5330 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | form | powder to crystal | | pka | 11.01±0.10(Predicted) | | color | White to Brown | | Water Solubility | Insoluble in water. | | BRN | 128461 | | Cosmetics Ingredients Functions | HAIR DYEING | | InChI | 1S/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 | | SMILES | N#CCc1nc2ccccc2[nH]1 | | CAS DataBase Reference | 4414-88-4(CAS DataBase Reference) | | EPA Substance Registry System | 1H-Benzimidazole-2-acetonitrile (4414-88-4) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-37/39-24/25 | | RIDADR | 3276 | | WGK Germany | 3 | | RTECS | DD5650000 | | TSCA | TSCA listed | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29332900 | | Storage Class | 13 - Non Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | | Toxicity | LD50 ivn-mus: 56 mg/kg CSLNX* NX#04148 |
| | 2-(Cyanomethyl)benzimidazole Usage And Synthesis |
| Chemical Properties | LIGHT BEIGE FINE CRYSTALLINE POWDER | | Uses | 2-Benzimidazoleacetonitrile, is used as a pharmaceutical intermediate. It is also used as an intermediate in organic synthesis. | | Safety Profile | Poison by intravenous route. Seealso NITRILES. When heated to decomposition it emitstoxic fumes of NOx. | | Synthesis | To the dry solid of o-phenylenediamine (1.08 g, 10 mmol) was added ethyl cyanoacetate (1.13 g, 10 mmol). The reaction mixture was placed in an oil bath and heated at 120 °C for 30 min, followed by cooling to room temperature. Upon completion of the reaction, the product was collected by filtration and ground with diethyl ether for purification. Finally, recrystallization was carried out from ethanol to give 2-cyanomethylbenzimidazole. | | References | [1] Chemical and Pharmaceutical Bulletin, 2018, vol. 66, # 3, p. 309 - 318
[2] ChemMedChem, 2016, vol. 11, # 5, p. 539 - 548
[3] European Journal of Medicinal Chemistry, 2017, vol. 126, p. 853 - 869
[4] European Journal of Medicinal Chemistry, 2017, vol. 136, p. 270 - 282
[5] Chinese Chemical Letters, 2010, vol. 21, # 5, p. 519 - 523 |
| | 2-(Cyanomethyl)benzimidazole Preparation Products And Raw materials |
| Raw materials | Ethyl cyanoacetate-->o-Phenylenediamine-->2-(4-Diethylamino-2-hydroxybenzoyl)benzoic acid | | Preparation Products | COUMARIN 7-->Coumarin 30-->Solvent Red 196-->Solvent Red 197-->1H-Benzimidazole-2-aceticacid,methylester(9CI)-->COUMARIN 7-->DISPERSE RED 277-->3-(1H-benzoimidazol-2-yl)-N,N-diethyl-2-imino-chromen-7-amine-->11-oxo-5,7,8,9,10,11-hexahydrobenzo[4,5]imidazo[1,2-b]isoquinoline-6-carbonitrile-->1H-Benzimidazole-2-acetonitrile,alpha-(1-methylethylidene)-(9CI) |
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