2-Ethylbenzonitrile

Base Information

• Chemical Name: 2-Ethylbenzonitrile
• CAS No.: 34136-59-9
• Molecular Formula: C9H9N
• Molecular Weight: 131.177
• Hs Code.: 2926909090
• European Community (EC) Number: 800-813-8
• DSSTox Substance ID: DTXSID20955669
• Nikkaji Number: J526.371I
• Wikidata: Q82935365
• Mol file: 34136-59-9.mol

Synonyms:2-Ethylbenzonitrile;34136-59-9;o-Ethylbenzonitrile;Benzonitrile, 2-ethyl-;ethylcyanobenzene;2-Ethylbenzonitrile #;2-Ethylbenzonitrile, 98%;SCHEMBL106062;DTXSID20955669;MFCD00045597;AKOS009156939;BS-22901;CS-0172218;FT-0639161;EN300-70518;A822091;J-019462;Z979777106

Chemical Property of 2-Ethylbenzonitrile

Chemical Property:

• Vapor Pressure: 0.201mmHg at 25°C
• Melting Point: 51.75°C (estimate)
• Refractive Index: n20/D 1.523(lit.)
• Boiling Point: 209.6 °C at 760 mmHg
• Flash Point: 80.2 °C
• PSA: 23.79000
• Density: 0.98 g/cm³
• LogP: 2.12068
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 131.073499291
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

2-Ethylbenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=CC=CC=C1C#N
• Uses: 2-Ethylbenzonitrile may be used to synthesize 2-ethylhexahydrobenzylamine and 2-ethylstyrene.

Technology Process of 2-Ethylbenzonitrile

There total 20 articles about 2-Ethylbenzonitrile 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: 95.0%

1-bromo-2-ethylbenzene (1973-22-4) + copper(l) cyanide → o-ethylbenzonitrile (34136-59-9)

Guidance literature:

In N,N-dimethyl-formamide; at 150 ℃; for 12h;

DOI:10.1002/adsc.201700261

Reference yield: 79.0%

triethylamine (121-44-8) + phthalonitrile (91-15-6) → o-ethylbenzonitrile (34136-59-9) + o-<1-(diethylamino)ethyl>benzonitrile (61079-86-5) + benzonitrile (100-47-0)

Guidance literature:

In acetonitrile; for 16h; Irradiation;

DOI:10.1246/bcsj.53.1683

Reference yield: 75.0%

triethyl borane (97-94-9) + 2-<(trifluoromethanesulfonyl)oxy>benzonitrile (138313-23-2) → o-ethylbenzonitrile (34136-59-9)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; cesium acetate; In tetrahydrofuran; Reflux; Inert atmosphere;

DOI:10.1002/ejoc.200900538

upstream raw materials:

2-ethylbenzamide

lead(II) thiocyanate

2-ethylbenzoic acid

ortho-ethylaniline

Downstream raw materials:

1-(2-ethylphenyl)ethanone

2-ethylbenzophenone

2-vinylbenzonitrile

2-ethylbenzamide