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2243-27-8

Basic Information
CAS No.: 2243-27-8
Name: N-OCTYL CYANIDE
Article Data: 170
Molecular Structure:
Molecular Structure of 2243-27-8 (N-OCTYL CYANIDE)
Formula: C9H17N
Molecular Weight: 139.241
Synonyms: 1-Cyanooctane;NSC 5560;Nonanitrile;Octyl cyanide;Pelargonitrile;Pelargononitrile;n-Nonanenitrile;n-Nonanonitrile;n-Octylcyanide;
EINECS: 218-808-9
Density: 0.816 g/cm3
Melting Point: -35 °C
Boiling Point: 225.2 °C at 760 mmHg
Flash Point: 81.1 °C
Solubility: Insoluble in water
Appearance: clear yellow to orange liquid
Hazard Symbols: DangerousN
Risk Codes: 51/53
Safety: 61
Transport Information: UN 3077 9/PG 3
PSA: 23.79000
LogP: 3.26058
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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

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%.

N-Octyl cyanide can be prepared by 1-iodo-octane and lithium cyanide

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%.

N-Octyl cyanide can be used to get nonanamide

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.