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| | 2,6-Dichlorobenzyl acetonitrile Basic information |
| | 2,6-Dichlorobenzyl acetonitrile Chemical Properties |
| Melting point | 73-75 °C (lit.) | | Boiling point | 306.06°C (rough estimate) | | density | 1.4274 (rough estimate) | | refractive index | 1.5690 (estimate) | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | Crystalline Powder | | color | White to light yellow | | BRN | 1910482 | | Exposure limits | NIOSH: IDLH 25 mg/m3 | | InChI | 1S/C8H5Cl2N/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3H,4H2 | | InChIKey | AOEJUUCUKRUCEF-UHFFFAOYSA-N | | SMILES | Clc1cccc(Cl)c1CC#N | | CAS DataBase Reference | 3215-64-3(CAS DataBase Reference) | | NIST Chemistry Reference | 2,6-Dichlorophenylacetic acid nitrile(3215-64-3) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-37/39-36/37/39 | | RIDADR | 3439 | | WGK Germany | 3 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269095 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2 |
| | 2,6-Dichlorobenzyl acetonitrile Usage And Synthesis |
| Chemical Properties | White to light yellow crystalline powder | | Uses | 2,6-Dichlorophenylacetonitrile was found to degrade rapidly in non-sterile soils but not in azide treated soils. | | General Description | 2,6-Dichlorophenylacetonitrile was found to degrade rapidly in non-sterile soils but not in azide treated soils. | | Synthesis | Example 13-(2,6-dichloro-phenyl)-6-(2,4-difluoro-phenylamino)-1-diethyl-pyrazolo[1,5-a]pyrimidin-2-one was synthesized as follows:
Step 1 (Synthesis of 2,6-dichlorophenylacetonitrile): a solution of potassium cyanide (26 g, 400.00 mmol) and 18-crown-6 (0.05 g) in water (60 mL) was added to a 500 mL round bottom flask. Subsequently, an ethanol (300 mL) solution of 2,6-dichlorobenzyl chloride (40 g, 206.24 mmol) was added to this solution. The reaction mixture was stirred under reflux conditions for 1 to 3 hours and the progress of the reaction was monitored by thin layer chromatography (TLC, unfolding agent ratio ethyl acetate: petroleum ether = 1:4). After completion of the reaction, the mixture was concentrated to dryness using a rotary evaporator. The concentrated residue was transferred to a dispensing funnel and washed with water (5 x 100 mL) to afford 35.4 g (95% yield) of 2-(2,6-dichlorophenyl)acetonitrile as a white solid. The product can be used directly in the next reaction without further purification. | | References | [1] Patent: WO2007/15866, 2007, A2. Location in patent: Page/Page column 29; 31 |
| | 2,6-Dichlorobenzyl acetonitrile Preparation Products And Raw materials |
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