1,1,3-Trichloroacetone

Base Information Edit

Chemical Name:1,1,3-Trichloroacetone
CAS No.:921-03-9
Molecular Formula:C3H3Cl3O
Molecular Weight:161.415
Hs Code.:29147000
European Community (EC) Number:213-063-6
UNII:8N0B05BDRQ
DSSTox Substance ID:DTXSID4021680
Nikkaji Number:J69.886E
Wikidata:Q27270768
ChEMBL ID:CHEMBL3183118
Mol file:921-03-9.mol

Synonyms:1,1,3-trichloroacetone

Suppliers and Price of 1,1,3-Trichloroacetone

Supply Marketing:Edit

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

TRC
1,1,3-Trichloroacetone
25g
$ 265.00

Sigma-Aldrich
1,1,3-Trichloroacetone produced by Wacker Chemie AG, Burghausen, Germany, ≥86.5% (GC)
1kg
$ 159.00

Matrix Scientific
1,1,3-Trichloropropan-2-one 65%
500g
$ 285.00

American Custom Chemicals Corporation
1,1,3-TRICHLOROACETONE 95.00%
500G
$ 8154.27

American Custom Chemicals Corporation
1,1,3-TRICHLOROACETONE 95.00%
250G
$ 6422.58

American Custom Chemicals Corporation
1,1,3-TRICHLOROACETONE 95.00%
100G
$ 3396.65

Total 103 raw suppliers

Chemical Property of 1,1,3-Trichloroacetone Edit

Chemical Property:

Appearance/Colour:colorless liquid
Vapor Pressure:30-350Pa at 20-50℃
Melting Point:9-11 °C(lit.)
Refractive Index:n20/D 1.491
Boiling Point:170.714 °C at 760 mmHg
Flash Point:63.447 °C
PSA：17.07000
Density:1.471 g/cm³
LogP:1.59800
Storage Temp.:Refrigerator, under inert atmosphere
Solubility.:Chloroform, Methanol
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:159.924948
Heavy Atom Count:7
Complexity:70.6

Purity/Quality:

99% ^*data from raw suppliers

1,1,3-Trichloroacetone ^*data from reagent suppliers

Safty Information:

Pictogram(s): T+,N
Hazard Codes:T+,N
Statements: 25-26-34-50/53-68-21
Safety Statements: 26-36/37/39-45-60-61-28

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(C(=O)C(Cl)Cl)Cl
Description 1,1,3-Trichloroacetone is direct-acting mutagens in the Ames/Salmonella assay. It is precursor for the generation of 1,3-dihalo oxyallyl intermediates, which undergo [4 + 3] cycloadditions with a host of 1,3-diene systems.
Uses 1,1,3-Trichloroacetone was used in base-induced solvolyses of [3.2.1]Bicyclic α,α′-dichloro ketones. 1,1,3-Trichloroacetone is a reagent used to synthesize chlorinated 5-hydroxy-4-methyl-2(5H)-furanones and mucochloric acid. In addition, it can also be used to synthesize (+)-Phorbol. Phorbol derivatives are important for biomedical research and capable of stimulating T-cell activation, proliferation and cytokine production.

Technology Process of 1,1,3-Trichloroacetone

There total 18 articles about 1,1,3-Trichloroacetone 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: 85.0%

: 67-64-1
acetone

: 921-03-9
1,1,3-trichloroacetone

Guidance literature:: acetone; With 2-isopropylaniline; for 1h; Reflux;

With chlorine; sodium hydroxide; at 60 ℃; under 3000.3 Torr; pH=8; Reagent/catalyst; Temperature; pH-value;