4-(3-Chlorophenyl)-4-oxobutanenitrile

Base Information

Chemical Name:4-(3-Chlorophenyl)-4-oxobutanenitrile
CAS No.:34555-37-8
Molecular Formula:C10H8ClNO
Molecular Weight:193.63
Hs Code.:2926909090
DSSTox Substance ID:DTXSID70502889
Mol file:34555-37-8.mol

Synonyms:34555-37-8;4-(3-CHLOROPHENYL)-4-OXOBUTYRONITRILE;4-(3-CHLOROPHENYL)-4-OXOBUTANENITRILE;MFCD02260566;SCHEMBL8045032;3-(m-chlorobenzoyl)propionitrile;DTXSID70502889;MOPBGBQUTNZWPZ-UHFFFAOYSA-N;AB8926;AKOS009625225;AS-44929;CS-0332714

Suppliers and Price of 4-(3-Chlorophenyl)-4-oxobutanenitrile

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

Rieke Metals
4-(3-Chlorophenyl)-4-oxobutyronitrile 97%
1g
$ 215.00

Rieke Metals
4-(3-Chlorophenyl)-4-oxobutyronitrile 97%
5g
$ 631.00

Rieke Metals
4-(3-Chlorophenyl)-4-oxobutyronitrile 97%
2g
$ 366.00

Matrix Scientific
4-(3-Chlorophenyl)-4-oxobutyronitrile
2g
$ 364.00

Matrix Scientific
4-(3-Chlorophenyl)-4-oxobutyronitrile
1g
$ 226.00

Matrix Scientific
4-(3-Chlorophenyl)-4-oxobutyronitrile
5g
$ 588.00

Crysdot
4-(3-Chlorophenyl)-4-oxobutyronitrile 95+%
5g
$ 554.00

American Custom Chemicals Corporation
4-(3-CHLOROPHENYL)-4-OXOBUTANENITRILE 95.00%
1G
$ 812.54

American Custom Chemicals Corporation
4-(3-CHLOROPHENYL)-4-OXOBUTANENITRILE 95.00%
10G
$ 2231.46

American Custom Chemicals Corporation
4-(3-CHLOROPHENYL)-4-OXOBUTANENITRILE 95.00%
5G
$ 1394.66

Total 6 raw suppliers

Chemical Property of 4-(3-Chlorophenyl)-4-oxobutanenitrile

Chemical Property:

Vapor Pressure:8.82E-06mmHg at 25°C
Boiling Point:373.7°C at 760 mmHg
Flash Point:179.8°C
PSA：40.86000
Density:1.215g/cm³
LogP:2.82648
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:193.0294416
Heavy Atom Count:13
Complexity:230

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Chlorophenyl)-4-oxobutyronitrile 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of 4-(3-Chlorophenyl)-4-oxobutanenitrile

There total 5 articles about 4-(3-Chlorophenyl)-4-oxobutanenitrile 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: 83.0%

: 587-04-2
m-Chlorobenzaldehyde

: 107-13-1,25014-41-9
acrylonitrile

: 34555-37-8
3-(3-chlorobenzoyl)propionitrile

Guidance literature:: With Cu doped graphitic carbon nitride; In water; at 20 ℃; for 9h; Sealed tube; Irradiation; Green chemistry;
DOI:10.1002/ejoc.202000945

Reference yield: 68.0%

: 618-46-2
m-Chlorobenzoyl chloride

: 107-13-1,25014-41-9
acrylonitrile

: 34555-37-8
3-(3-chlorobenzoyl)propionitrile

Guidance literature:: With samarium; In N,N-dimethyl-formamide; at 20 ℃; for 1.5h;

Reference yield: 40.0%

: 2039-85-2,26100-04-9
3-Chlorostyrene

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

: 34555-37-8
3-(3-chlorobenzoyl)propionitrile

Guidance literature:: With tert.-butylhydroperoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In decane; at 110 ℃; for 24h; Sealed tube;
DOI:10.1021/acs.orglett.6b02692