1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile

Base Information

Chemical Name:1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
CAS No.:65619-30-9
Molecular Formula:C13H11Cl2NO
Molecular Weight:268.13900
Hs Code.:2926909090
DSSTox Substance ID:DTXSID50393313
Nikkaji Number:J1.369.645D
Wikidata:Q82192052
Mol file:65619-30-9.mol

Synonyms:1-(3,4-dichlorophenyl)-4-oxocyclohexanecarbonitrile;65619-30-9;1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile;4-CYANO-4-(3,4-DICHLOROPHENYL)CYCLOHEXANONE;SCHEMBL3519672;DTXSID50393313;YDVFTCZQEZJUIH-UHFFFAOYSA-N;AKOS016013566;CS-0322710;FT-0618287

Suppliers and Price of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile

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

Crysdot
1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile 95+%
1g
$ 446.00

Crysdot
1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile 95+%
5g
$ 1563.00

Chemenu
1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile 95%
5g
$ 1473.00

Chemenu
1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carbonitrile 95%
1g
$ 421.00

American Custom Chemicals Corporation
4-CYANO-4-(3,4-DICHLOROPHENYL)CYCLOHEXANONE 95.00%
1G
$ 690.06

Alichem
1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
1g
$ 468.00

Alichem
1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
5g
$ 1669.50

AK Scientific
1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile
1g
$ 1131.00

Acrotein
4-Cyano-4-(3,4-dichlorophenyl)cyclohexanone 97%
1g
$ 256.67

Total 12 raw suppliers

Chemical Property of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile

Chemical Property:

Vapor Pressure:7.05E-08mmHg at 25°C
Melting Point:154-156oC
Boiling Point:438.2oC at 760 mmHg
Flash Point:218.8oC
PSA：40.86000
Density:1.34g/cm3
LogP:3.89788
Storage Temp.:2-8°C
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:267.0217694
Heavy Atom Count:17
Complexity:350

Purity/Quality:

99.90% ^*data from raw suppliers

1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 22
Safety Statements: 22-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(CCC1=O)(C#N)C2=CC(=C(C=C2)Cl)Cl

Technology Process of 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile

There total 5 articles about 1-(3,4-Dichlorophenyl)-4-oxocyclohexanecarbonitrile 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: 82.0%

: 303728-45-2
4-Cyano-4-(3',4'-dichlorophenyl)cyclohex-1-enyl acetate

: 65619-30-9
4-cyano-4-(3',4'-dichlorophenyl)cyclohexanone

: 303728-37-2
(S)-4-Cyano-4-(3',4'-dichlorophenyl)cyclohex-1-enyl acetate

Guidance literature:: With lipase from Pseudomonas fluorescens; In tetrahydrofuran; butan-1-ol; at 32 ℃;
DOI:10.1016/S0040-4039(01)01156-X

Reference yield: 58.0%

: 65619-26-3
2-Carbomethoxy-4-(3,4-dichlorphenyl)-4-cyano-cyclohexanon

: 65619-30-9
4-cyano-4-(3',4'-dichlorophenyl)cyclohexanone

Guidance literature:: With sulfuric acid; In acetic acid; for 24h; Heating;
DOI:10.1021/jm00178a014

Reference yield: 28.0%

: 303728-45-2
4-Cyano-4-(3',4'-dichlorophenyl)cyclohex-1-enyl acetate

: 65619-30-9
4-cyano-4-(3',4'-dichlorophenyl)cyclohexanone

: Acetic acid (R)-4-cyano-4-(3,4-dichloro-phenyl)-cyclohex-1-enyl ester

: 303728-37-2
(S)-4-Cyano-4-(3',4'-dichlorophenyl)cyclohex-1-enyl acetate

Guidance literature:: With pseudomonas fluorescens lipase; butan-1-ol; In tetrahydrofuran; at 20 ℃; for 9.5h;
DOI:10.1016/S0040-4039(00)01149-7