12-Fluorododecanonitrile

Base Information

• Chemical Name: 12-Fluorododecanonitrile
• CAS No.: 334-71-4
• Molecular Formula: C12H22FN
• Molecular Weight: 199.35
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00187042
• Nikkaji Number: J42.972D
• Wikidata: Q83058573
• Mol file: 334-71-4.mol

Synonyms:12-Fluorododecanonitrile;334-71-4;DODECANONITRILE, l2-FLUORO-;BRN 1765899;12-fluorododecanenitrile;C12H22FN;DTXSID00187042;C12-H22-F-N;LS-63524

Chemical Property of 12-Fluorododecanonitrile

Chemical Property:

• Vapor Pressure: 0.00142mmHg at 25°C
• Boiling Point: 296.6°Cat760mmHg
• Flash Point: 126.1°C
• PSA: 23.79000
• Density: 0.884g/cm³
• LogP: 4.38048
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 199.173627868
• Heavy Atom Count: 14
• Complexity: 148

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCCCCC#N)CCCCCF

Technology Process of 12-Fluorododecanonitrile

There total 6 articles about 12-Fluorododecanonitrile 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:

11-fluoroundecan-1-ol (463-36-5) → 12-fluoro-dodecanenitrile (334-71-4)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus (III)-bromide

2: aqueous ethanol

With ethanol; phosphorus tribromide;

DOI:10.1021/jo01113a006

Reference yield:

1-Bromo-11-hydroxyundecane (1611-56-9) → 12-fluoro-dodecanenitrile (334-71-4)

Guidance literature:

Multi-step reaction with 3 steps

1: diethylene glycol; potassium fluoride / 110 °C

2: phosphorus (III)-bromide

3: aqueous ethanol

With potassium fluoride; ethanol; phosphorus tribromide; diethylene glycol;

DOI:10.1021/jo01113a006

Reference yield:

10-undecenyl acetate (112-19-6) → 12-fluoro-dodecanenitrile (334-71-4)

Guidance literature:

Multi-step reaction with 4 steps

1: dibenzoyl peroxide; hydrogen bromide / und Erwaermen des Reaktionsprodukts mit Methanol (oder Aethanol) unter Zusatz von Toluol-4-sulfonsaeure

2: diethylene glycol; potassium fluoride / 110 °C

3: phosphorus (III)-bromide

4: aqueous ethanol

With potassium fluoride; ethanol; hydrogen bromide; phosphorus tribromide; diethylene glycol; dibenzoyl peroxide;

DOI:10.1021/jo01113a006

upstream raw materials:

1-bromo-11-fluoroundecane

sodium cyanide

11-fluoroundecan-1-ol

1-Bromo-11-hydroxyundecane

Downstream raw materials:

12-fluorododecanoic acid