1-(4-Chlorophenyl)hexane-1,4-dione

Base Information

Chemical Name:1-(4-Chlorophenyl)hexane-1,4-dione
CAS No.:676266-99-2
Molecular Formula:C12H13ClO2
Molecular Weight:224.687
Hs Code.:2914700090
DSSTox Substance ID:DTXSID30561290
Nikkaji Number:J2.902.710B
Wikidata:Q82445024
Mol file:676266-99-2.mol

Synonyms:1-(4-Chlorophenyl)hexane-1,4-dione;676266-99-2;SCHEMBL2969581;DTXSID30561290;GOPIHDJIGFSCCQ-UHFFFAOYSA-N;AKOS015965967

Suppliers and Price of 1-(4-Chlorophenyl)hexane-1,4-dione

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-(4-Chlorophenyl)hexane-1,4-dione 95+%
1g
$ 339.00

American Custom Chemicals Corporation
1-(4-CHLORO-PHENYL)-HEXANE-1,4-DIONE 95.00%
500MG
$ 1871.10

American Custom Chemicals Corporation
1-(4-CHLORO-PHENYL)-HEXANE-1,4-DIONE 95.00%
250MG
$ 1593.90

American Custom Chemicals Corporation
1-(4-CHLORO-PHENYL)-HEXANE-1,4-DIONE 95.00%
50MG
$ 739.20

American Custom Chemicals Corporation
1-(4-CHLORO-PHENYL)-HEXANE-1,4-DIONE 95.00%
25MG
$ 704.55

Alichem
1-(4-Chlorophenyl)hexane-1,4-dione
1g
$ 400.00

Total 6 raw suppliers

Chemical Property of 1-(4-Chlorophenyl)hexane-1,4-dione

Chemical Property:

Vapor Pressure:2.37E-05mmHg at 25°C
Melting Point:86-87 °C
Refractive Index:1.521
Boiling Point:359.5°C at 760 mmHg
Flash Point:151.9°C
PSA：34.14000
Density:1.145g/cm³
LogP:3.28200
Storage Temp.:2-8°C
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:224.0604073
Heavy Atom Count:15
Complexity:230

Purity/Quality:

98% ^*data from raw suppliers

1-(4-Chlorophenyl)hexane-1,4-dione 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Chlorophenyl)hexane-1,4-dione

There total 3 articles about 1-(4-Chlorophenyl)hexane-1,4-dione 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: 75.63%

: 99-91-2
para-chloroacetophenone

: 816-40-0
1-Bromo-2-butanone

: 676266-99-2
1-(4-chlorophenyl)hexane-1,4-dione

Guidance literature:: With triethylamine; zinc(II) chloride; tert-butyl alcohol; In benzene; at 20 ℃; for 2h;

para-chloroacetophenone; 1-Bromo-2-butanone; In benzene; at 20 ℃; for 96h;

Reference yield: 54.0%

: 75-11-6
diiodomethane

: 26732-06-9
1-(4-chlorophenyl)pentane-1,3-dione

: 676266-99-2
1-(4-chlorophenyl)hexane-1,4-dione

Guidance literature:: diiodomethane; With diethylzinc; trifluoroacetic acid; In dichloromethane; at 0 ℃; for 0.5h;

1-(4-chlorophenyl)pentane-1,3-dione; In dichloromethane; at 20 ℃; for 5h;
DOI:10.1021/jo051950b

Reference yield:

: 1629-58-9
4-penten-3-one

: 104-88-1
4-chlorobenzaldehyde

: 676266-99-2
1-(4-chlorophenyl)hexane-1,4-dione

Guidance literature:: 4-penten-3-one; 4-chlorobenzaldehyde; With 3-ethyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazolium bromide; triethylamine; for 0.25h; Microwave irradiation;

With hydrogenchloride; In water;
DOI:10.1016/j.ejmech.2009.06.005