4-Chloro-2-phenylbutanenitrile

Base Information

Chemical Name:4-Chloro-2-phenylbutanenitrile
CAS No.:93273-13-3
Molecular Formula:C10H10 Cl N
Molecular Weight:179.649
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70535531
Mol file:93273-13-3.mol

Synonyms:4-CHLORO-2-PHENYLBUTANENITRILE;93273-13-3;4-chloro-2-phenylbutyronitrile;SCHEMBL22323261;DTXSID70535531;AKOS006343912

Suppliers and Price of 4-Chloro-2-phenylbutanenitrile

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

Matrix Scientific
4-Chloro-2-phenylbutanenitrile 95+%
250mg
$ 296.00

Matrix Scientific
4-Chloro-2-phenylbutanenitrile 95+%
1g
$ 656.00

American Custom Chemicals Corporation
4-CHLORO-2-PHENYLBUTANENITRILE 95.00%
5MG
$ 500.16

Alichem
4-Chloro-2-phenylbutanenitrile
1g
$ 454.74

AK Scientific
4-Chloro-2-phenylbutanenitrile
1g
$ 935.00

AK Scientific
4-Chloro-2-phenylbutanenitrile
250mg
$ 449.00

Total 9 raw suppliers

Chemical Property of 4-Chloro-2-phenylbutanenitrile

Chemical Property:

Boiling Point:160-180 °C(Press: 14 Torr)
PSA：23.79000
Density:1.117±0.06 g/cm3(Predicted)
LogP:2.92268
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:179.0501770
Heavy Atom Count:12
Complexity:164

Purity/Quality:

≥95% ^*data from raw suppliers

4-Chloro-2-phenylbutanenitrile 95+% ^*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(CCCl)C#N

Technology Process of 4-Chloro-2-phenylbutanenitrile

There total 4 articles about 4-Chloro-2-phenylbutanenitrile 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: 76.0%

: 52370-86-2
ethyl 4-chloro-2-cyano-2-phenylbutanoate

: 93273-13-3
4-chloro-2-phenylbutyronitrile

Guidance literature:: With potassium carbonate; In methanol; water; at 0 ℃; for 3.5h;

Reference yield:

: 110-86-1
pyridine

: 93273-13-3
4-chloro-2-phenylbutyronitrile

Guidance literature:: With thionyl chloride; Erhitzen des mit Wasser versetzten Reaktionsgemisches;
DOI:10.1021/ja01344a050

Reference yield:

: 4553-07-5
ethyl phenylcyanoacetate

: 93273-13-3
4-chloro-2-phenylbutyronitrile

Guidance literature:: Multi-step reaction with 2 steps

1.1: potassium tert-butylate / N,N-dimethyl-formamide / 2.5 h / 20 °C / Cooling with ice

1.2: 16 h / 20 °C

2.1: potassium carbonate / methanol; water / 3.5 h / 0 °C

With potassium tert-butylate; potassium carbonate; In methanol; water; N,N-dimethyl-formamide;