2-Ethynylbenzonitrile

Base Information

Chemical Name:2-Ethynylbenzonitrile
CAS No.:40888-26-4
Molecular Formula:C9H5N
Molecular Weight:127.145
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70455664
Nikkaji Number:J1.255.982H
Mol file:40888-26-4.mol

Synonyms:2-ethynylbenzonitrile;40888-26-4;2-ETHYNYL-BENZONITRILE;MFCD08703475;2-Cyanophenylacetylene;Benzonitrile, 2-ethynyl-;o-cyanophenylacetylene;SCHEMBL1803188;DTXSID70455664;LZSDQLUEGYXDCW-UHFFFAOYSA-N;2-ethynyl-benzonitrile, AldrichCPR;AKOS006220654;PS-3986;SY065474;CS-0208194;F21305;EN300-1829887

Suppliers and Price of 2-Ethynylbenzonitrile

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
2-Ethynyl-benzonitrile
250mg
$ 75.00

SynQuest Laboratories
2-Ethynylbenzonitrile
250 mg
$ 100.00

SynQuest Laboratories
2-Ethynylbenzonitrile
1 g
$ 200.00

Crysdot
2-Ethynylbenzonitrile 95+%
1g
$ 300.00

Apolloscientific
2-Ethynylbenzonitrile 99%
1g
$ 206.00

Apolloscientific
2-Ethynylbenzonitrile 99%
250mg
$ 103.00

Apolloscientific
2-Ethynylbenzonitrile 99%
5g
$ 621.00

American Custom Chemicals Corporation
2-ETHYNYLBENZONITRILE 95.00%
1G
$ 891.85

American Custom Chemicals Corporation
2-ETHYNYLBENZONITRILE 95.00%
500MG
$ 759.41

American Custom Chemicals Corporation
2-ETHYNYLBENZONITRILE 95.00%
250MG
$ 705.57

Total 16 raw suppliers

Chemical Property of 2-Ethynylbenzonitrile

Chemical Property:

Vapor Pressure:0.027mmHg at 25°C
Melting Point:76 °C
Boiling Point:246.75oC at 760 mmHg
Flash Point:103.017oC
PSA：23.79000
Density:1.081g/cm3
LogP:1.53958
Storage Temp.:2-8°C
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:127.042199164
Heavy Atom Count:10
Complexity:199

Purity/Quality:

97% ^*data from raw suppliers

2-Ethynyl-benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC1=CC=CC=C1C#N

Technology Process of 2-Ethynylbenzonitrile

There total 18 articles about 2-Ethynylbenzonitrile 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%

: 97308-62-8
1-(2-cyanophenyl)-2-(trimethylsilyl)acetylene

: 40888-26-4
2-ethynylbenzonitrile

Guidance literature:: With potassium carbonate; In methanol; at 20 ℃; for 15h; Inert atmosphere;
DOI:10.1002/anie.200905816

Reference yield: 94.0%

: 38846-64-9
2-ethynylbenzaldehyde

: 40888-26-4
2-ethynylbenzonitrile

Guidance literature:: 2-ethynylbenzaldehyde; With hydroxylamine hydrochloride; triethylamine; In dichloromethane; at 20 ℃; for 0.0833333h;

With potassium hydrogen difluoride; 3-(imidazole-1-sulfonyl)-1-methyl-3H-imidazol-1-ium triflate; In water; at 20 ℃; for 3h;
DOI:10.1002/chem.201805175

Reference yield: 92.0%

: 2042-37-7
o-cyanobromobenzene

: 74-86-2,25067-58-7
acetylene

: 40888-26-4
2-ethynylbenzonitrile

Guidance literature:: With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 50 ℃; for 2h; Inert atmosphere;
DOI:10.1039/c4cc01738b