Propionitrile

Base Information

• Chemical Name: Propionitrile
• CAS No.: 107-12-0
• Molecular Formula: C3H5 N
• Molecular Weight: 55.0794
• Hs Code.: 29269095
• European Community (EC) Number: 203-464-4,268-599-3,693-269-4
• ICSC Number: 0320
• NSC Number: 7966
• UN Number: 2404
• UNII: E16N05FX3S
• DSSTox Substance ID: DTXSID1021879
• Nikkaji Number: J4.054A
• Wikipedia: Propionitrile
• Wikidata: Q414458,Q83051044,Q83057580
• ChEMBL ID: CHEMBL15871
• Mol file: 107-12-0.mol

Synonyms:Propionitrile(8CI); Cyanoethane; Ether cyanatus; Ethyl cyanide; Hydrocyanic ether; NSC 7966;Propionic nitrile; Propiononitrile; Propylnitrile; n-Propanenitrile

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Chemical Property of Propionitrile

Chemical Property:

• Appearance/Colour: Clear liquid
• Vapor Pressure: 54.2mmHg at 25°C
• Melting Point: -93 C
• Refractive Index: 1.3655
• Boiling Point: 97 - 98 C
• Flash Point: 6 ºC
• PSA: 23.79000
• Density: 0.77
• LogP: 0.91998
• Storage Temp.: Flammables area
• Solubility.: soluble in water at 40°C is 11.9 g/100 g H20; miscible with alcohol, ether, dimethylformamide
• Water Solubility.: decomposes. 5-10 g/100 mL at 23 ºC
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 55.042199164
• Heavy Atom Count: 4
• Complexity: 38.5
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

Safty Information:

• Hazard Codes: F,T+,T
• Statements: 11-20-25-27-36-23/24/25
• Safety Statements: 9-16-28-36/37-45-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: CCC#N
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is moderately irritating to the eyes and skin. The vapour is irritating to the upper respiratory tract. The substance may cause effects on the cellular respiration. This may result in metabolic acidosis, central nervous system depression, cardiac disorders and death. Medical observation is indicated.
• Effects of Long Term Exposure: The substance may have effects on the blood. This may result in anaemia. Ingestion may cause effects on the gastrointestinal tract. This may result in ulceration. The substance may have effects on the kidneys, liver and thyroid. This may result in impaired functions.
• Uses: Propionitrile is an intermediate for organic syntheses, e.g. Houben-Hoesch reaction, as well as for pharmaceuticals, e.g. ketoprofen and fragrances. Propionitrile is used as a chemical intermediate. It is formed as a by-product of the electrodimerization of acrylonitrile to adiponitrile. Propionitrile, act as solvents and are reacted further for various application including, Extraction solvent for fatty acids, oils and unsaturated hydrocarbons, Solvent for spinning and casting, removing agent of colouring matters and aromatic alcohols, Non-aqueous solvent for titrations and for inorganic salts, Recrystallization of steroids, Parent compound for organic synthesis, chemical intermediate in biochemistry, Catalyst and component of transition-metal complex catalysts, Stabilizer for chlorinated solvents, Chemical intermediate and solvent for perfumes and pharmaceuticals. It is used as a dielectric fluid.

Technology Process of Propionitrile

There total 215 articles about Propionitrile 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: 84.0%

bis(dimethylamino)malononitrile (63442-64-8) → ethyl isocyanide (624-79-3) + Cyan-N,N,N',N'-tetramethylformamidinium-tetrafluoroborat (70976-86-2) + propiononitrile (107-12-0)

Guidance literature:

With triethyloxonium fluoroborate; In dichloromethane; Product distribution; Ambient temperature;

Reference yield: 76.0%

isobutene (115-11-7,15220-85-6) → 2-methylpropenal (78-85-3,25120-30-3) + ethanol (64-17-5) + acetone (67-64-1) + acetonitrile (75-05-8,26809-02-9) + propiononitrile (107-12-0) + methacrylonitrile (126-98-7,25067-61-2)

Guidance literature:

With nitrogen(II) oxide; nickel(II) oxide; aluminum oxide; at 410 ℃; Product distribution; var. cat.: pure NiO, NiO supported by alumina, silica, magnesia, alumina-magnesia, silica-alumina, silica-magnesia; var. temp.;

Reference yield: 44.0%

bis(dimethylamino)malononitrile (63442-64-8) + triethyloxonium fluoroborate (368-39-8) → ethyl isocyanide (624-79-3) + Cyan-N,N,N',N'-tetramethylformamidinium-tetrafluoroborat (70976-86-2) + propiononitrile (107-12-0)

Guidance literature:

In dichloromethane; Ambient temperature;

upstream raw materials:

propan-1-ol

tri-n-propylamine

ethyl bromide

potassium cyanide

Downstream raw materials:

1,3,5-tripropionylperhydro-1,3,5-triazine

ethyl 2-cyanopropionate

N-propylcyclohexylamine

2-Isopropyl-3H-quinazolin-4-one

Refernces

• 1、 Xu, Bo-Quing,Yamaguchi, Tsutomu,Tanabe, Kozo. "Selective Dehydrogenation of Alkylamines to Nitriles over Metal Oxide Catalysts". . p. 281 - 284. Retrieved 1988.
• 2、 Savel'ev, M. M.,Lapidus, A. L.,Kolesnikova, I. B.,Usachev, N. Ya.,Minachev, Kh. M.,Usacheva, O. N.. "FORMATION OF PROPIONITRILE AND ACRYLONITRILE FROM ACETONITRILE AND METHANOL". . p. 1722. Retrieved 1992.
• 3、 Terent'ev et al.. "-". . . Retrieved 1974.
• 4、 Lifshitz, Assa,Suslensky, Aya,Tamburu, Carmen. "Thermal decomposition of 4-methylpyrimidine. Experimental results and kinetic modeling". . p. 3542 - 3554. Retrieved 2001.
• 5、 Ruckenstein, Eli,Khan, Ashraf Z.. "Selective Formation of Acrylonitrile via Oxidative Methylation of Acetonitrile with Methane over Superbasic Catalysts". . p. 1290 - 1292. Retrieved 1993.
• 6、 Kukula, Pavel,Studer, Martin,Blaser, Hans-Ulrich. "Chemoselective hydrogenation of α,β-unsaturated nitriles". . p. 1487 - 1493. Retrieved 2004.
• 7、 Strohmeier,Kaiser. "-". . p. 273,276. Retrieved 1976.
• 8、 Sheppard. "-". . p. 1460. Retrieved 1961.
• 9、 Adams et al.. "-". . p. 6051. Retrieved 1968.
• 10、 Mizuno, Koichi,Kamuki, Toru,Suzuki, Masaomi. "CN-COMPOUNDS FORMATION OVER Al2O3 SUPPORTED Pt AND Rh CATALYSTS IN THE REDUCTION OF NO WITH PROPYLENE AND H2 - CO". . p. 731 - 734. Retrieved 1980.