2-(3-Bromo-4-chlorophenyl)acetonitrile

Base Information

Chemical Name:2-(3-Bromo-4-chlorophenyl)acetonitrile
CAS No.:249647-28-7
Molecular Formula:C₈H₅BrClN
Molecular Weight:230.491
Hs Code.:
DSSTox Substance ID:DTXSID00444763
Wikidata:Q82263015

Synonyms:2-(3-Bromo-4-chlorophenyl)acetonitrile;249647-28-7;(3-Bromo-4-chloro-phenyl)-acetonitrile;SCHEMBL1006491;DTXSID00444763;(3-bromo-4-chlorophenyl)acetonitrile;FS-4283;CS-0358589;D96285

Suppliers and Price of 2-(3-Bromo-4-chlorophenyl)acetonitrile

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

Total 4 raw suppliers

Chemical Property of 2-(3-Bromo-4-chlorophenyl)acetonitrile

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:228.92939
Heavy Atom Count:11
Complexity:174

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=C(C=C1CC#N)Br)Cl

Technology Process of 2-(3-Bromo-4-chlorophenyl)acetonitrile

There total 6 articles about 2-(3-Bromo-4-chlorophenyl)acetonitrile 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%

: potassium cyanide

: 880348-24-3
2-bromo-4-(bromomethyl)-1-chlorobenzene

: 249647-28-7
3-bromo-4-chlorobenzyl cyanide

Guidance literature:: In ethanol; water; at 20 ℃; for 6h;

Reference yield:

: 773837-37-9
sodium cyanide

: 880348-24-3
2-bromo-4-(bromomethyl)-1-chlorobenzene

: 249647-28-7
3-bromo-4-chlorobenzyl cyanide

Guidance literature:: In dimethyl sulfoxide; at 20 ℃; for 2h;

Reference yield:

: 1126-46-1
Methyl 4-chlorobenzoate

: 249647-28-7
3-bromo-4-chlorobenzyl cyanide

Guidance literature:: Multi-step reaction with 5 steps

1: NBS; H₂SO₄ / 15 h / 20 °C

2: LiAlH₄ / diethyl ether / 0.5 h / 20 °C

3: Et₃N / CH₂Cl₂ / 1 h / 0 - 20 °C

4: NaI / butan-2-one / 3 h / Heating

5: dimethylformamide / 15 h / 50 °C

With N-Bromosuccinimide; lithium aluminium tetrahydride; sulfuric acid; triethylamine; sodium iodide; In diethyl ether; dichloromethane; N,N-dimethyl-formamide; butanone; 1: Bromination / 2: Reduction / 3: Sulfonylation / 4: Iodination / 5: Substitution;
DOI:10.1021/jm990229t