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| | 3-Chlorobenzyl cyanide Basic information |
| Product Name: | 3-Chlorobenzyl cyanide | | Synonyms: | 3-Chlorobenzyl Cyanide m-Chlorobenzyl Cyanide;3-ChlorobenzylCyanide99%;3-Chlorobenzyl;3-Chlorophenylacetonitrilel;10) META CHLORO BENZYL CYANIDE;m-Chlorobenzyl nitrile;3-Chlorobenzyl cyanide ,99.88%;(3-Chlorophenyl)acetonitrile,3-Chlorobenzyl cyanide | | CAS: | 1529-41-5 | | MF: | C8H6ClN | | MW: | 151.59 | | EINECS: | 216-213-9 | | Product Categories: | Aromatic Nitriles;john's | | Mol File: | 1529-41-5.mol |  |
| | 3-Chlorobenzyl cyanide Chemical Properties |
| Melting point | 11-13 °C(lit.) | | Boiling point | 134-136 °C10 mm Hg(lit.) | | density | 1.283 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.544(lit.) | | Fp | >230 °F | | storage temp. | Store at room temperature | | solubility | Chloroform (Slightly), Methanol (Slightly) | | form | clear liquid | | color | Colorless to Light yellow to Light orange | | Specific Gravity | 1.280~1.282 | | BRN | 2042965 | | Exposure limits | NIOSH: IDLH 25 mg/m3 | | Stability: | Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, strong reducing agents. | | InChI | 1S/C8H6ClN/c9-8-3-1-2-7(6-8)4-5-10/h1-3,6H,4H2 | | InChIKey | GTIKLPYCSAMPNG-UHFFFAOYSA-N | | SMILES | Clc1cccc(CC#N)c1 | | CAS DataBase Reference | 1529-41-5(CAS DataBase Reference) | | NIST Chemistry Reference | Benzeneacetonitrile, 3-chloro-(1529-41-5) |
| Hazard Codes | T | | Risk Statements | 23/24/25-36/37/38 | | Safety Statements | 36/37/39-45-28B | | RIDADR | UN 3276 6.1/PG 1 | | WGK Germany | 3 | | RTECS | AL8240000 | | HazardClass | 6.1 | | PackingGroup | II | | HS Code | 29269090 | | Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials | | Hazard Classifications | Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral | | Toxicity | mouse,LD50,intraperitoneal,38mg/kg (38mg/kg),PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGEBEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD,Pesticide Biochemistry and Physiology. Vol. 2, Pg. 95, 1972. |
| | 3-Chlorobenzyl cyanide Usage And Synthesis |
| Chemical Properties | colourless liquid | | Uses | 3-Chlorobenzyl Cyanide is a useful synthetic intermediate. It was used to design EGFR Tyrosine Kinase Inhibitors. It can also be used to synthesize imidoyl thioureas as non-nucleoside reverse transcriptase inhibitors. | | Synthesis | GENERAL METHOD: 3-chlorobenzyl chloride (1.0 mmol) and sodium cyanide (2 mmol) were dissolved in water (5 mL) and polyethylene glycol modified diisocyanate (PEG-MDIL, 0.2 g) was added. The reaction suspension was magnetically stirred under reflux conditions for the reaction time shown in Table 2. After completion of the reaction, the mixture was extracted with ether (2 × 10 mL). The organic extracts were combined and dried with anhydrous calcium chloride and subsequently concentrated under reduced pressure. By this method, the target product 3-chlorobenzeneacetonitrile was obtained in good to excellent yields (Scheme 3). | | References | [1] Journal of Molecular Liquids, 2015, vol. 202, p. 34 - 39 |
| | 3-Chlorobenzyl cyanide Preparation Products And Raw materials |
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