Heptadecanenitrile

Base Information

• Chemical Name: Heptadecanenitrile
• CAS No.: 5399-02-0
• Molecular Formula: C17H33 N
• Molecular Weight: 251.456
• Hs Code.: 2926909090
• European Community (EC) Number: 268-079-6,226-432-1
• NSC Number: 3704
• DSSTox Substance ID: DTXSID90873467
• Nikkaji Number: J103.492H
• Wikidata: Q81978942
• Mol file: 5399-02-0.mol

Synonyms:Heptadecanenitrile;Heptadecanonitrile;5399-02-0;n-Heptadecanonitrile;Hexadecyl cyanide;Cetyl cyanide;1-Cyanohexadecane;Nitriles, C16-18;EINECS 268-079-6;NSC 3704;EINECS 226-432-1;AI3-07618;EC 268-079-6;68002-65-3;Margaronitrile;heptadecannitril;Heptadecanedinitrile;Heptadecanoic acid nitrile;Nitriles, C16-1-8;SCHEMBL60687;C17H33N;DTXSID90873467;NSC3704;NSC-3704;Heptadecanenitrile >=95.0% (GC);C17-H33-N;MFCD00042635;Heptadecanenitrile, >=95.0% (GC);LS-195582;FT-0708837;H0568;D90904

Chemical Property of Heptadecanenitrile

Chemical Property:

• Vapor Pressure: 5.93E-05mmHg at 25°C
• Melting Point: 34°C
• Refractive Index: 1.4467
• Boiling Point: 208 °C / 10mmHg
• Flash Point: 137.5°C
• PSA: 23.79000
• Density: 0.831g/cm³
• LogP: 6.38138
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 251.261300057
• Heavy Atom Count: 18
• Complexity: 189

Purity/Quality:

99% ^*data from raw suppliers

Heptadecanonitrile >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CCCCCCCCCCCCCCCCC#N

Technology Process of Heptadecanenitrile

There total 20 articles about Heptadecanenitrile 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: 96.0%

1-Hexadecanol (36653-82-4,124-29-8) + 2-hydroxy-2-methylpropanenitrile (75-86-5) → heptadecanenitrile (5399-02-0)

Guidance literature:

With tributylphosphine; diamide; In benzene; at 20 ℃; for 24h;

DOI:10.1016/S0040-4039(99)01509-9

Reference yield: 95.0%

sodium cyanide (143-33-9,25596-52-5) + 3-<(hexadecyloxy)sulfonyl>-N,N,N-trimethylpropanaminium fluorofulfate → heptadecanenitrile (5399-02-0)

Guidance literature:

In water; benzene; at 25 ℃; for 72h;

DOI:10.1021/ja00389a038

Reference yield: 92.0%

→ heptadecanenitrile (5399-02-0)

Guidance literature:

In dimethyl sulfoxide; at 60 ℃;

upstream raw materials:

1-iodohexadecane

potassium cyanide

heptadecanoic acid

1-Chlorohexadecan

Downstream raw materials:

17-tritriacontanone

dimethyl hexadecanedioate

16-oxohexadecanoic acid methyl ester

1-hexadecylcarboxylic acid