N-OCTYL CYANIDE

Reported in EPA TSCA Inventory.

The CAS registry number of N-Octyl cyanide is 2243-27-8. Its EINECS registry number is 218-808-9. The IUPAC name is nonanenitrile. In addition, the molecular formula is C₉H₁₇N and the molecular weight is 139.24. What's more, it is a kind of clear yellow to orange liquid. Besides, it should be stored in sealed container, and put in a cool and dry place. 

Physical properties about this chemical are: (1)ACD/LogP: 3.27; (2)ACD/LogD (pH 5.5): 3.27; (3)ACD/LogD (pH 7.4): 3.27; (4)ACD/BCF (pH 5.5): 180.68; (5)ACD/BCF (pH 7.4): 180.68; (6)ACD/KOC (pH 5.5): 1435.84; (7)ACD/KOC (pH 7.4): 1435.84; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 23.79 Å²; (11)Index of Refraction: 1.425; (12)Molar Refractivity: 43.65 cm³; (13)Molar Volume: 170.4 cm³; (14)Polarizability: 17.3 ×10^-24cm³; (15)Surface Tension: 29.8 dyne/cm; (16)Density: 0.816 g/cm³; (17)Flash Point: 81.1 °C; (18)Enthalpy of Vaporization: 46.18 kJ/mol; (19)Boiling Point: 225.2 °C at 760 mmHg; (20)Vapour Pressure: 0.0874 mmHg at 25°C.

Preparation of N-Octyl cyanide: it can be prepared by 1-iodo-octane and lithium cyanide. This reaction will need solvent tetrahydrofuran. The reaction time is 1 hour by heating. The yield is about 90%.

Uses of N-Octyl cyanide: it can be used to get nonanamide. This reaction will need reagents 30percent aq. H₂O₂ and K₂CO₃, and solvent dimethylsulfoxide. The reaction time is 30 minutes with ambient temperature. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. You should avoid release it to the environment. And you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCCCCCCC
(2)InChI: InChI=1/C9H17N/c1-2-3-4-5-6-7-8-9-10/h2-8H2,1H3
(3)InChIKey: PLZZPPHAMDJOSR-UHFFFAOYAV

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	2059mg/kg (2059mg/kg)		Archives of Toxicology. Vol. 55, Pg. 47, 1984.