4-Cyanoindole

Base Information

Chemical Name:4-Cyanoindole
CAS No.:16136-52-0
Molecular Formula:C9H6N2
Molecular Weight:142.16
Hs Code.:29339900
European Community (EC) Number:627-196-6
DSSTox Substance ID:DTXSID80396837
Nikkaji Number:J1.567.275G
Wikidata:Q72458379
Mol file:16136-52-0.mol

Synonyms:4-Cyanoindole;16136-52-0;1H-indole-4-carbonitrile;4-Indolecarbonitrile;MFCD00152045;indole-4-carbonitrile;4-Cyano indole;4-Cyanoindole, 97%;1H-indol-4-yl cyanide;SCHEMBL403956;CEUFGDDOMXCXFW-UHFFFAOYSA-;DTXSID80396837;CEUFGDDOMXCXFW-UHFFFAOYSA-N;BCP27457;BBL012485;STK501410;AKOS000321197;AB04035;AC-7408;CS-W007669;PS-5557;NCGC00340320-01;PD020357;SY006074;AM20050292;C2083;FT-0618755;C-8800;EN300-116586;AB01332896-02;A929606;Q-102573;F8880-2243;Z1203162661;InChI=1/C9H6N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H

Suppliers and Price of 4-Cyanoindole

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

TRC
4-Cyanoindole
250mg
$ 55.00

TCI Chemical
4-Cyanoindole >98.0%(GC)
5g
$ 90.00

TCI Chemical
4-Cyanoindole >98.0%(GC)
1g
$ 31.00

SynQuest Laboratories
1H-Indole-4-carbonitrile
5 g
$ 28.00

Sigma-Aldrich
4-Cyanoindole 97%
1g
$ 42.80

Sigma-Aldrich
4-Cyanoindole 97%
5g
$ 106.00

Matrix Scientific
4-Cyanoindole
100g
$ 205.00

Matrix Scientific
4-Cyanoindole
25g
$ 69.00

Matrix Scientific
4-Cyanoindole
5g
$ 24.00

J&W Pharmlab
1H-Indole-4-carbonitrile 96%
5g
$ 15.00

Total 79 raw suppliers

Chemical Property of 4-Cyanoindole

Chemical Property:

Appearance/Colour:White to Orange to Tan Powder
Vapor Pressure:4.51E-05mmHg at 25°C
Melting Point:117-121 °C(lit.)
Refractive Index:1.674
Boiling Point:350 °C at 760 mmHg
PKA:15.17±0.30(Predicted)
Flash Point:121.9 °C
PSA：39.58000
Density:1.24 g/cm³
LogP:2.03958
Storage Temp.:−20°C
Water Solubility.:Soluble in water.
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:142.053098200
Heavy Atom Count:11
Complexity:191

Purity/Quality:

99%, ^*data from raw suppliers

4-Cyanoindole ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 36/37/38-43-41-37/38-22
Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=C2C=CNC2=C1)C#N
Uses 4-Cyanoindole is used as a synthetic intermediate.

Technology Process of 4-Cyanoindole

There total 34 articles about 4-Cyanoindole 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: 99.0%

: 110811-33-1
4-Cyano-1H-indole-3-carboxylic acid

: 16136-52-0
4-cyanoindole

Guidance literature:: With potassium carbonate; In ethanol; at 140 ℃; Schlenk technique;
DOI:10.1080/00397911.2019.1703137

Reference yield: 91.8%

: 81038-39-3
4-cyano-1-methoxycarbonylindole

: 16136-52-0
4-cyanoindole

Guidance literature:: With sodium hydroxide; In methanol; for 0.166667h; Heating;
DOI:10.1248/cpb.29.3145

Reference yield: 89.3%

: 25235-85-2
4-chloro-1H-indole

: 557-21-1
dicyanozinc

: 16136-52-0
4-cyanoindole

Guidance literature:: With racemic 2-di-tert-butylphosphino-1,1'-binaphthyl; palladium(II) trifluoroacetate; zinc; In N,N-dimethyl acetamide; at 95 ℃; for 7h;
DOI:10.1021/ol070372d