1,8-Octanedinitrile

Base Information

• Chemical Name: 1,8-Octanedinitrile
• CAS No.: 629-40-3
• Molecular Formula: C8H12N2
• Molecular Weight: 136.197
• Hs Code.: 29269095
• European Community (EC) Number: 211-089-2
• NSC Number: 51242
• UNII: JNT1LXA02U
• DSSTox Substance ID: DTXSID7022097
• Nikkaji Number: J94.869A
• Wikidata: Q27281589
• Mol file: 629-40-3.mol

Synonyms:Suberonitrile(6CI,7CI,8CI);D 7800-8;NSC 51242;Suberic acid dinitrile;Octanedinitrile;

Chemical Property of 1,8-Octanedinitrile

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.000319mmHg at 25°C
• Melting Point: -3.5 °C
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 320.4 °C at 760 mmHg
• Flash Point: 146.2 °C
• PSA: 47.58000
• Density: 0.954 g/cm³
• LogP: 2.37416
• Storage Temp.: Store below +30°C.
• Solubility.: 7g/l insoluble
• Water Solubility.: 1.2 g/100 mL
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 136.100048391
• Heavy Atom Count: 10
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

Suberonitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 36/37/39-45-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCC#N)CCC#N
• Uses: 1,6-Dicyanohexane can be used as a reagent to synthesize heterocylic organic molecules.

Technology Process of 1,8-Octanedinitrile

There total 35 articles about 1,8-Octanedinitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%

1,8-diaminooctan (373-44-4) → octanedinitrile (629-40-3)

Guidance literature:

With potassium hydroxide; In water; tert-butyl alcohol; at 40 ℃; for 4h; electrolysis at a Ni(OH)2 anode and a steel cathode, current - 2 A, cell voltage - 2.0 V;

DOI:10.1055/s-1982-29721

Reference yield: 94.0%

1,8-Octanediol (629-41-4) → octanedinitrile (629-40-3)

Guidance literature:

With ammonium hydroxide; 1,3-Diiodo-5,5-dimethyl-2,4-imidazolidinedione; at 60 ℃; for 24h;

DOI:10.1055/s-2007-967954

Reference yield: 88.0%

4-bromobutanenitrile (5332-06-9) → octanedinitrile (629-40-3)

Guidance literature:

With α-picoline; manganese; trifluoroacetic acid; cobalt(II) bromide; In acetonitrile; at 50 ℃; Reagent/catalyst;

DOI:10.1002/adsc.201600213

upstream raw materials:

1 ,6-dibromohexane

potassium cyanide

1,6-diiodohexane

1,6-hexanediol

Downstream raw materials:

octanediimidic acid diethyl ester; dihydrochloride

octane-1,8-dioic acid

1,8-diaminooctan

7-cyano-heptanoic acid amide