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3-Cyclohexene-1-carbonitrile

Base Information Edit
  • Chemical Name:3-Cyclohexene-1-carbonitrile
  • CAS No.:100-45-8
  • Molecular Formula:C7H9 N
  • Molecular Weight:107.155
  • Hs Code.:2926909090
  • European Community (EC) Number:623-115-3
  • NSC Number:7407
  • UNII:D65GN9AVCH
  • DSSTox Substance ID:DTXSID70861706
  • Nikkaji Number:J34.008A
  • Wikidata:Q22079568
  • Mol file:100-45-8.mol
3-Cyclohexene-1-carbonitrile

Synonyms:3-Cyclohexene-1-carbonitrile;100-45-8;4-Cyano-1-cyclohexene;4-Cyanocyclohexene;cyclohex-3-enecarbonitrile;3-Cyclohexenecarbonitrile;3-Cyclohexenyl cyanide;1-Cyano-3-cyclohexene;cyclohex-3-ene-1-carbonitrile;Cyclohex-3-enenitrile;3-Cyklohexenylkyanid;3-Cyklohexenylkyanid [Czech];NSC 7407;UNII-D65GN9AVCH;D65GN9AVCH;BRN 0636074;AI3-08635;NSC-7407;4-09-00-00116 (Beilstein Handbook Reference);4-Cyanocyclohexene-1;1,2,5,6-Tetrahydrobenzonitrile;NSC7407;Tetrahydrobenzonitrile;4-Cyclohexenecarbonitrile;WLN: L6UTJ DCN;SCHEMBL167234;1,2,3,6-Tetrahydrobenzonitrile;DTXSID70861706;MFCD00013778;AKOS006229199;AS-47878;LS-57405;FT-0618302;(+/-)-3-CYCLOHEXENE-1-CARBONITRILE;F16653;Q22079568

Suppliers and Price of 3-Cyclohexene-1-carbonitrile
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • 4-Cyano-1-cyclohexene
  • 50mg
  • $ 50.00
  • TCI Chemical
  • 4-Cyano-1-cyclohexene >98.0%(GC)
  • 25mL
  • $ 312.00
  • TCI Chemical
  • 4-Cyano-1-cyclohexene >98.0%(GC)
  • 5mL
  • $ 122.00
  • Sigma-Aldrich
  • 3-CYCLOHEXENE-1-CARBONITRILE Aldrich
  • 250mg
  • $ 144.00
  • Matrix Scientific
  • 3-Cyclohexenecarbonitrile 97+%
  • 10g
  • $ 100.00
  • Matrix Scientific
  • 3-Cyclohexenecarbonitrile 97+%
  • 25g
  • $ 198.00
  • Crysdot
  • Cyclohex-3-enecarbonitrile 95+%
  • 5g
  • $ 165.00
  • Crysdot
  • Cyclohex-3-enecarbonitrile 95+%
  • 25g
  • $ 490.00
  • Apolloscientific
  • 4-Cyano-1-cyclohexene
  • 25g
  • $ 837.00
  • Apolloscientific
  • 4-Cyano-1-cyclohexene
  • 5g
  • $ 318.00
Total 26 raw suppliers
Chemical Property of 3-Cyclohexene-1-carbonitrile Edit
Chemical Property:
  • Vapor Pressure:0.317mmHg at 25°C 
  • Refractive Index:1.4720-1.4750 
  • Boiling Point:200.9°Cat760mmHg 
  • Flash Point:65.8°C 
  • PSA:23.79000 
  • Density:0.94g/cm3 
  • LogP:1.86628 
  • Storage Temp.:Sealed in dry,Room Temperature 
  • Water Solubility.:Insoluble in water 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:0
  • Exact Mass:107.073499291
  • Heavy Atom Count:8
  • Complexity:138
Purity/Quality:

98%,99%, *data from raw suppliers

4-Cyano-1-cyclohexene *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
  • Statements: 20/21/22-36/37/38 
  • Safety Statements: 26-36/37/39 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Canonical SMILES:C1CC(CC=C1)C#N
Technology Process of 3-Cyclohexene-1-carbonitrile

There total 7 articles about 3-Cyclohexene-1-carbonitrile 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:
Guidance literature:
With bismuth(lll) trifluoromethanesulfonate; acetylhydroxamic acid; In acetonitrile; for 16h; Reflux;
DOI:10.1016/j.tetlet.2012.04.057
Guidance literature:
With bismuth(lll) trifluoromethanesulfonate; In acetonitrile; for 8h; Reflux;
DOI:10.1016/j.tetlet.2012.04.057

Reference yield: 94.0%

Guidance literature:
With ammonium acetate; acetic acid; N-(2,2,6,6-tetramethyl-1-oxopiperidin-1-ium-4-yl)acetamide tetrafluoroborate; at 70 ℃; for 12h; Inert atmosphere;
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