3-Cyanocoumarin

Base Information

Chemical Name:3-Cyanocoumarin
CAS No.:15119-34-3
Molecular Formula:C10H5NO2
Molecular Weight:171.155
Hs Code.:2932209090
European Community (EC) Number:681-439-0
DSSTox Substance ID:DTXSID10164728
Nikkaji Number:J736.548I
Wikidata:Q83033800
Metabolomics Workbench ID:74175
ChEMBL ID:CHEMBL1767304
Mol file:15119-34-3.mol

Synonyms:3-cyanocoumarin

Suppliers and Price of 3-Cyanocoumarin

Supply Marketing:

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

AHH
3-Cyanocoumarin 98%
100g
$ 635.00

AK Scientific
3-Cyanocoumarin
25g
$ 525.00

Alfa Aesar
Coumarin-3-carbonitrile, 97%
1g
$ 23.00

Alfa Aesar
Coumarin-3-carbonitrile, 97%
5g
$ 79.30

American Custom Chemicals Corporation
3-CYANOCOUMARIN 95.00%
1G
$ 619.70

American Custom Chemicals Corporation
3-CYANOCOUMARIN 95.00%
2.5G
$ 796.77

American Custom Chemicals Corporation
3-CYANOCOUMARIN 95.00%
5G
$ 912.29

Biosynth Carbosynth
3-Cyanocoumarin
50 g
$ 500.00

Biosynth Carbosynth
3-Cyanocoumarin
10 g
$ 160.00

Biosynth Carbosynth
3-Cyanocoumarin
25 g
$ 320.00

Total 26 raw suppliers

Chemical Property of 3-Cyanocoumarin

Chemical Property:

Vapor Pressure:4.32E-05mmHg at 25°C
Melting Point:184-188 °C(lit.)
Refractive Index:1.621
Boiling Point:350.7 °C at 760 mmHg
Flash Point:167.2 °C
PSA：54.00000
Density:1.34 g/cm³
LogP:1.66468
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:171.032028402
Heavy Atom Count:13
Complexity:310

Purity/Quality:

97% ^*data from raw suppliers

3-Cyanocoumarin 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C=C(C(=O)O2)C#N

Technology Process of 3-Cyanocoumarin

There total 40 articles about 3-Cyanocoumarin 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: 98.0%

: 90-02-8
salicylaldehyde

: 105-56-6
ethyl 2-cyanoacetate

: 15119-34-3
3-cyanocoumarin

Guidance literature:: With zirconyl chloride octahydrate; sodium amide; In tetrahydrofuran; at 25 ℃; for 0.5h; Green chemistry;
DOI:10.14233/ajchem.2020.22849

Reference yield: 97.0%

: 90-02-8
salicylaldehyde

: 372-09-8
cyanoacetic acid

: 15119-34-3
3-cyanocoumarin

Guidance literature:: With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine; In acetic acid butyl ester; ethyl acetate; at 120 ℃;
DOI:10.1016/j.tetlet.2012.06.037

Reference yield: 96.0%

: 90-02-8
salicylaldehyde

: 109-77-3
malononitrile

: 15119-34-3
3-cyanocoumarin

Guidance literature:: salicylaldehyde; malononitrile; With silicium tetrachloride; In ethanol; at 20 ℃; for 0.25h;

With water monomer; In ethanol; Cooling with ice;
DOI:10.3998/ark.5550190.0013.921