Cyclohexylideneacetonitrile

Base Information Edit

Chemical Name:Cyclohexylideneacetonitrile
CAS No.:4435-18-1
Molecular Formula:C₈H₁₁N
Molecular Weight:121.182
Hs Code.:
European Community (EC) Number:224-642-8
NSC Number:100158
UNII:FCR3W52974
DSSTox Substance ID:DTXSID9063459
Nikkaji Number:J205.814F
Mol file:4435-18-1.mol

Synonyms:2-cyclohexylideneacetonitrile;Cyclohexylideneacetonitrile;4435-18-1;Acetonitrile, cyclohexylidene-;Acetonitrile, 2-cyclohexylidene-;FCR3W52974;delta1,alpha-Cyclohexaneacetonitrile;EINECS 224-642-8;NSC 100158;NSC-100158;.delta.(1,.alpha.)-Cyclohexaneacetonitrile;NSC100158;Cyclohexylidene-acetonitrile;NCIOpen2_002061;2-cyclohexylidene-acetonitrile;UNII-FCR3W52974;SCHEMBL4934409;DTXSID9063459;MFCD11109254;AKOS010969701;SB12942;.DELTA.1,.alpha.-Cyclohexaneacetonitrile;CS-0183366;FT-0653275;EN300-123000;F51913;A826554;A1-01110

Suppliers and Price of Cyclohexylideneacetonitrile

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

American Custom Chemicals Corporation
CYCLOHEXYLIDENEACETONITRILE 95.00%
5G
$ 909.56

Absolute Chiral
2-cyclohexylideneacetonitrile 95%
250 mg
$ 198.00

Absolute Chiral
2-cyclohexylideneacetonitrile 95%
500 mg
$ 298.00

A1 Biochem Labs
2-Cyclohexylideneacetonitrile 95%
5 g
$ 600.00

A1 Biochem Labs
2-Cyclohexylideneacetonitrile 95%
1 g
$ 200.00

Total 13 raw suppliers

Chemical Property of Cyclohexylideneacetonitrile Edit

Chemical Property:

Vapor Pressure:0.0969mmHg at 25°C
Refractive Index:1.4382 (estimate)
Boiling Point:223.3°Cat760mmHg
Flash Point:88.7°C
PSA：23.79000
Density:1.035g/cm³
LogP:2.40048
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:121.089149355
Heavy Atom Count:9
Complexity:151

Purity/Quality:

99% ^*data from raw suppliers

CYCLOHEXYLIDENEACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC(=CC#N)CC1

Technology Process of Cyclohexylideneacetonitrile

There total 26 articles about Cyclohexylideneacetonitrile 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: 97.0%

: 2537-48-6
diethyl 1-cyanomethylphosphonate

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 4435-18-1,76293-17-9
2-cyclohexylideneacetonitrile

Guidance literature:: diethyl 1-cyanomethylphosphonate; With sodium hydride; In diethyl ether; mineral oil; at 0 ℃; for 0.25h; Inert atmosphere;

cyclohexanone; In diethyl ether; mineral oil; at 20 ℃; for 0.166667h; Inert atmosphere;
DOI:10.1021/acs.joc.8b02576

Reference yield: 95.0%

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 75-05-8,26809-02-9
acetonitrile

: 4435-18-1,76293-17-9
2-cyclohexylideneacetonitrile

Guidance literature:: With potassium hydroxide; at 20 - 83 ℃; for 1h;
DOI:10.1007/s13738-012-0214-0

Reference yield: 75.0%

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 75-05-8,26809-02-9
acetonitrile

: 4435-18-1,76293-17-9
2-cyclohexylideneacetonitrile

: C₈H₁₁Br₂N

Guidance literature:: cyclohexanone; acetonitrile; With potassium hydroxide; Reflux;

With bromine; In tetrachloromethane;
DOI:10.15227/orgsyn.062.0179