2,2-Dichloro-2-phenylacetonitrile

Base Information

Chemical Name:2,2-Dichloro-2-phenylacetonitrile
CAS No.:40626-45-7
Molecular Formula:C₈H₅Cl₂N
Molecular Weight:186.04
Hs Code.:2926907090
European Community (EC) Number:815-958-2
DSSTox Substance ID:DTXSID10456150
Nikkaji Number:J95.645G
Wikidata:Q82278374
Mol file:40626-45-7.mol

Synonyms:2,2-dichloro-2-phenylacetonitrile;40626-45-7;dichlorophenylacetonitrile;a-dichlorophenyl-acetonitrile;SCHEMBL5152927;DTXSID10456150;MFCD09702429;I+/-,I+/--dichlorophenyl-acetonitrile;EN300-70641

Suppliers and Price of 2,2-Dichloro-2-phenylacetonitrile

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
2,2-Dichloro-2-phenylacetonitrile
50mg
$ 45.00

SynQuest Laboratories
2,2-Dichloro-2-phenylacetonitrile 97%
5 g
$ 495.00

SynQuest Laboratories
2,2-Dichloro-2-phenylacetonitrile 97%
1 g
$ 195.00

American Custom Chemicals Corporation
2,2-DICHLORO-2-PHENYLACETONITRILE 95.00%
2.5G
$ 818.00

American Custom Chemicals Corporation
2,2-DICHLORO-2-PHENYLACETONITRILE 95.00%
1G
$ 613.00

Total 4 raw suppliers

Chemical Property of 2,2-Dichloro-2-phenylacetonitrile

Chemical Property:

Refractive Index:1.5690 (estimate)
Boiling Point:306.06°C (rough estimate)
Density:1.4274 (rough estimate)
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:184.9799046
Heavy Atom Count:11
Complexity:174

Purity/Quality:

97% ^*data from raw suppliers

2,2-Dichloro-2-phenylacetonitrile ^*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)(Cl)Cl

Technology Process of 2,2-Dichloro-2-phenylacetonitrile

There total 7 articles about 2,2-Dichloro-2-phenylacetonitrile 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: 80.0%

: 140-29-4
phenylacetonitrile

: 22259-83-2
2-chloro-2-phenylacetonitrile

: 40626-45-7
α,α-dichlorobenzylcyanide

Guidance literature:: With sodium hypochlorite; 1,4-diaza-bicyclo[2.2.2]octane; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; water; at 38 - 40 ℃; for 3h; Mechanism;

Reference yield:

: 100-47-0
benzonitrile

: 40626-45-7
α,α-dichlorobenzylcyanide

Guidance literature:: With 2,2'-azobis(isobutyronitrile); chlorine; In 1,2-dichloro-ethane; at 30 ℃; Reagent/catalyst; Solvent;

Reference yield:

: 140-29-4
phenylacetonitrile

: 40626-45-7
α,α-dichlorobenzylcyanide

Guidance literature:: Multi-step reaction with 2 steps

1: HCl, SOCl₂ / diethyl ether

2: 145 - 150 °C

With hydrogenchloride; thionyl chloride; In diethyl ether;
DOI:10.1021/jo00912a015