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| | 1-Amino-1-cyclopropanecarbonitrile hydrochloride Basic information |
| Product Name: | 1-Amino-1-cyclopropanecarbonitrile hydrochloride | | Synonyms: | 1-AMINO-1-CYCLOPROPANECARBONITRILE HCL;1-AMINO-1-CYCLOPROPANECARBONITRILE HYDROCHLORIDE;1-AMINOCYCLOPROPANECARBONITRILEHYDROCHLORIDE;1-AMINO-CYCLOPROPYL CYANIC HYDROCHLORIDE;1-aminocyclopropionitrile HCl;1-AMINOCYCLOPROPIONITRILE HYDROCHLORIDE;1-AMINO-CYCLOPROPYL CYANIC HYDROCHLORIDE 98.0+%;1-Amino-1-cyanocyclopropane hydrochloride | | CAS: | 127946-77-4 | | MF: | C4H7ClN2 | | MW: | 118.56 | | EINECS: | 629-718-8 | | Product Categories: | | | Mol File: | 127946-77-4.mol |  |
| | 1-Amino-1-cyclopropanecarbonitrile hydrochloride Chemical Properties |
| Melting point | 223°C | | density | 1.244 at 20℃ | | vapor pressure | 1.475hPa at 20℃ | | storage temp. | Inert atmosphere,2-8°C | | Water Solubility | Soluble in water | | form | Powder | | color | White to Almost white | | InChI | InChI=1S/C4H6N2.ClH/c5-3-4(6)1-2-4;/h1-2,6H2;1H | | InChIKey | PCEIEQLJYDMRFZ-UHFFFAOYSA-N | | SMILES | C1(N)(CC1)C#N.Cl | | LogP | 2.72 at 25℃ and pH5.5 | | CAS DataBase Reference | 127946-77-4(CAS DataBase Reference) |
| Hazard Codes | T | | Risk Statements | 25-36-43 | | Safety Statements | 26-36/37-45 | | RIDADR | UN3439 | | WGK Germany | 3 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 29269090 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 4 Oral
Eye Irrit. 2
Skin Sens. 1 |
| | 1-Amino-1-cyclopropanecarbonitrile hydrochloride Usage And Synthesis |
| Chemical Properties | White solid | | Synthesis | An aqueous solution of sodium hydroxide (91 g, 2.275 mol) was added to a 2L flask and cooled to zero degrees under nitrogen before benzyltriethylammonium chloride (2.0 g, 0.0088 mol), (phenylmethyleneammonium) acetonitrile (47.89 g), and toluene (100 mL) were added to the reaction system. Then 1,2-dibromoethane (23 ml, 122.4 mmol) was added dropwise to the reaction mixture over 25 minutes, mechanically stirred and cooled to maintain an internal temperature close to 10 degrees C. The reaction mixture was then vigorously stirred at room temperature for 24 hours before being poured into ice water and extracted with toluene, and the combined extract was washed with brine and then dried with anhydrous MgSO4, filtered, and the oil was extracted by rotary Toluene was removed by evaporation to give an oily compound (67 g), the residue was dissolved in boiling n-hexane (400 ml) and cooled by hot filtration, a dark-colored oily compound could be isolated, which was removed with a pipette (ca. 2 ml) and cooled for 2 hr at zero degrees Celsius before scraping-induced crystallization was carried out on the remaining solution, the light-yellow crystals were collected by filtration, and washed with zero degrees Celsius n-hexane to give the Intermediate 1-(phenylmethylene)cyclopropanecarbonitrile (30.56 g). 1-(Phenylmethylene)cyclopropanecarbonitrile (30.56 g, 0.124 mol) well concentrated hydrochloric acid (12 ml) was dissolved in a mixed solvent of water (100 ml) and ether (100 ml), and the resulting mixture was stirred and reacted for 15 hrs at room temperature, and the ether layer was separated, and then the aqueous layer was washed with ether. Then the aqueous layer was freeze-dried to obtain 1-aminocyclopropanecarbonitrile hydrochloride as a tan powder (13.51 g). [ |
| | 1-Amino-1-cyclopropanecarbonitrile hydrochloride Preparation Products And Raw materials |
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