2-Phenylmalononitrile

Base Information

Chemical Name:2-Phenylmalononitrile
CAS No.:3041-40-5
Molecular Formula:C9H6N2
Molecular Weight:142.16
Hs Code.:2926909090
NSC Number:10742
UNII:5M3K6FPU6O
DSSTox Substance ID:DTXSID80184493
Nikkaji Number:J515.690D
Wikidata:Q72482626
Mol file:3041-40-5.mol

Synonyms:2-phenylmalononitrile

Suppliers and Price of 2-Phenylmalononitrile

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

Crysdot
2-Phenylmalononitrile 97%
5g
$ 831.00

American Custom Chemicals Corporation
2-PHENYLMALONONITRILE 95.00%
5MG
$ 505.36

Alichem
2-Phenylmalononitrile
1g
$ 237.44

Total 33 raw suppliers

Chemical Property of 2-Phenylmalononitrile

Chemical Property:

Vapor Pressure:0.0117mmHg at 25°C
Melting Point:70.5°C
Refractive Index:1.55
Boiling Point:261.169 °C at 760 mmHg
Flash Point:117.51 °C
PSA：47.58000
Density:1.126 g/cm³
LogP:1.81736
XLogP3:1.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:142.053098200
Heavy Atom Count:11
Complexity:192

Purity/Quality:

99% ^*data from raw suppliers

2-Phenylmalononitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(C#N)C#N

Technology Process of 2-Phenylmalononitrile

There total 31 articles about 2-Phenylmalononitrile 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: 95.0%

: 108-86-1,52753-63-6
bromobenzene

: 109-77-3
malononitrile

: 3041-40-5
2-phenylmalononitrile

Guidance literature:: malononitrile; With sodium hydroxide; In 1-methyl-pyrrolidin-2-one; at 20 - 100 ℃;

bromobenzene; With hydrogenchloride; triphenylphosphine; palladium dichloride; In 1-methyl-pyrrolidin-2-one; water; at 125 - 140 ℃; for 2 - 3h;

Reference yield: 94.0%

: 2082-66-8
2-chlorobenzylthiocyanate

: 140-29-4
phenylacetonitrile

: 3041-40-5
2-phenylmalononitrile

Guidance literature:: With lithium diisopropyl amide; In benzene; at 5 ℃; for 1h;
DOI:10.1021/jo00164a030

Reference yield: 91.0%

: 591-50-4
iodobenzene

: 109-77-3
malononitrile

: 3041-40-5
2-phenylmalononitrile

Guidance literature:: malononitrile; With sodium t-butanolate; In xylene; at 20 ℃; for 1h;

iodobenzene; With tricyclohexylphosphine; palladium dichloride; In xylene; at 80 ℃; for 20h; Further stages.;
DOI:10.1055/s-2006-944215