3-(2,5-Dichlorophenyl)-3-oxopropanenitrile

Base Information

Chemical Name:3-(2,5-Dichlorophenyl)-3-oxopropanenitrile
CAS No.:56719-08-5
Molecular Formula:C₉H₅Cl₂NO
Molecular Weight:214.051
Hs Code.:
European Community (EC) Number:871-144-7
DSSTox Substance ID:DTXSID50606556
Wikidata:Q82505357
Mol file:56719-08-5.mol

Synonyms:56719-08-5;2,5-DICHLOROBENZOYLACETONITRILE;3-(2,5-DICHLOROPHENYL)-3-OXOPROPANENITRILE;SCHEMBL11331688;DTXSID50606556;AKOS000180130;3-(2,5-dichlorophenyl)-3-oxopropionitrile;A8110;G35388;EN300-8045678;Z317041994

Suppliers and Price of 3-(2,5-Dichlorophenyl)-3-oxopropanenitrile

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

Labseeker
2,5-DICHLOROBENZOYLACETONITRILE 95
10g
$ 2017.00

Heterocyclics
2,5-Dichlorobenzoylacetonitrile 95%
5g
$ 776.00

Biosynth Carbosynth
2,5-Dichlorobenzoylacetonitrile
500 mg
$ 150.00

Biosynth Carbosynth
2,5-Dichlorobenzoylacetonitrile
250 mg
$ 95.00

Biosynth Carbosynth
2,5-Dichlorobenzoylacetonitrile
1 g
$ 348.60

Biosynth Carbosynth
2,5-Dichlorobenzoylacetonitrile
5 g
$ 892.40

Biosynth Carbosynth
2,5-Dichlorobenzoylacetonitrile
2 g
$ 557.80

American Custom Chemicals Corporation
2,5-DICHLOROBENZOYLACETONITRILE 95.00%
5MG
$ 496.39

AK Scientific
2,5-Dichlorobenzoylacetonitrile
1g
$ 329.00

Total 13 raw suppliers

Chemical Property of 3-(2,5-Dichlorophenyl)-3-oxopropanenitrile

Chemical Property:

Vapor Pressure:5.85E-05mmHg at 25°C
Boiling Point:346.2oC at 760 mmHg
Flash Point:163.2oC
PSA：40.86000
Density:1.383g/cm3
LogP:3.08978
XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:212.9748192
Heavy Atom Count:13
Complexity:245

Purity/Quality:

97% ^*data from raw suppliers

2,5-DICHLOROBENZOYLACETONITRILE 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1Cl)C(=O)CC#N)Cl

Technology Process of 3-(2,5-Dichlorophenyl)-3-oxopropanenitrile

There total 4 articles about 3-(2,5-Dichlorophenyl)-3-oxopropanenitrile 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:

: 35112-27-7
ethyl 2,5-dichlorobenzoate

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

: 56719-08-5
2,5-Dichlorobenzoylacetonitrile

Guidance literature:: With sodium hydride; In tetrahydrofuran; at 20 ℃;
DOI:10.1016/j.bmcl.2009.12.070

Reference yield:

: 2476-37-1
2,5-dichloroacetophenone

: 56719-08-5
2,5-Dichlorobenzoylacetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: Br₂ / diethyl ether / 20 °C

2: ethanol; H₂O / 20 °C

With bromine; In diethyl ether; ethanol; water;
DOI:10.1016/j.bmcl.2006.12.012