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| | Octanenitrile Basic information |
| Product Name: | Octanenitrile | | Synonyms: | N-CAPRYLIC NITRILE;caprylic nitrile;Octannitril;n-Heptyl cyanide,97%;Heptyl cyanide,Caprylonitrile;N-HEPTYL CYANIDE;N-OCTYL NITRILE;N-OCTANONITRILE | | CAS: | 124-12-9 | | MF: | C8H15N | | MW: | 125.21 | | EINECS: | 204-682-2 | | Product Categories: | | | Mol File: | 124-12-9.mol |  |
| | Octanenitrile Chemical Properties |
| Melting point | −45 °C(lit.) | | Boiling point | 198-200 °C(lit.) | | density | 0.814 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.42(lit.) | | Fp | 165 °F | | form | clear liquid | | color | Colorless to Light yellow to Light orange | | Odor | at 10.00 % in dipropylene glycol. fatty aldehydic green | | Odor Type | aldehydic | | BRN | 1744063 | | Henry's Law Constant | 5.7×10-2 mol/(m3Pa) at 25℃, Plyasunov et al. (2006) | | Dielectric constant | 13.9(25℃) | | InChI | InChI=1S/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3 | | InChIKey | YSIMAPNUZAVQER-UHFFFAOYSA-N | | SMILES | C(#N)CCCCCCC | | LogP | 2.750 | | CAS DataBase Reference | 124-12-9(CAS DataBase Reference) | | EPA Substance Registry System | Octanenitrile (124-12-9) |
| Hazard Codes | Xn | | Risk Statements | 20/21/22 | | Safety Statements | 36/37 | | RIDADR | 3276 | | WGK Germany | 2 | | RTECS | RG9700300 | | TSCA | TSCA listed | | HS Code | 2926.90.5050 | | HazardClass | 6.1(b) | | PackingGroup | III | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Acute Tox. 4 Oral
Skin Irrit. 2 | | Toxicity | LD50 orl-mus: 1764 mg/kg ARTODN 55,47,84 |
| | Octanenitrile Usage And Synthesis |
| Chemical Properties | clear colorless to light yellow liquid | | Uses | Octanenitrile is a reagent often used in the preparation of amides by hydration using amorphous manganese oxide catalyst in the presence of reduced amounts of water. | | Uses | Heptyl cyanide (Caprylonitrile) was used as a solvent to study the intermediates in the decomposition of aliphatic diazo-compounds. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 64, p. 3544, 1999 DOI: 10.1021/jo982317b
Tetrahedron Letters, 17, p. 255, 1976 DOI: 10.1016/S0040-4039(00)93701-8
Chemical and Pharmaceutical Bulletin, 11, p. 296, 1963 DOI: 10.1248/cpb.11.296 | | Safety Profile | Moderately toxic by ingestion.When heated to decomposition it emits toxic vapors ofNOx and CNí. | | Purification Methods | Wash the nitrile twice with half-volumes of conc HCl, then with saturated aqueous NaHCO3, dry over MgSO4, filter and distil it. [Beilstein 2 H 349, 2 I 148, 2 II 303, 2 III 798, 2 IV 993.] |
| | Octanenitrile Preparation Products And Raw materials |
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