1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone

Base Information

Chemical Name:1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone
CAS No.:886497-11-6
Molecular Formula:C9H6 Cl F3 O
Molecular Weight:222.594
Hs Code.:2914700090
DSSTox Substance ID:DTXSID80397460
Wikidata:Q82198816
Mol file:886497-11-6.mol

Synonyms:886497-11-6;1-(3-chloro-5-(trifluoromethyl)phenyl)ethanone;3'-CHLORO-5'-(TRIFLUOROMETHYL)ACETOPHENONE;1-[3-chloro-5-(trifluoromethyl)phenyl]ethanone;3'-chloro-5'-trifluoromethylacetophenone;1-[3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL]ETHAN-1-ONE;1-(3-Chloro-5-(trifluoromethyl)phenyl)ethan-1-one;SCHEMBL766178;DTXSID80397460;MFCD04115856;AKOS015955979;AB20634;AS-49770;CS-0272062;N10447;EN300-1930557;A861618

Suppliers and Price of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone

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

TRC
1-[3-Chloro-5-(trifluoromethyl)phenyl]-ethanone
5g
$ 525.00

TRC
1-[3-Chloro-5-(trifluoromethyl)phenyl]-ethanone
500mg
$ 85.00

SynQuest Laboratories
3'-Chloro-5'-(trifluoromethyl)acetophenone
5 g
$ 128.00

SynQuest Laboratories
3'-Chloro-5'-(trifluoromethyl)acetophenone
25 g
$ 495.00

Matrix Scientific
3'-Chloro-5'-(trifluoromethyl)acetophenone
25g
$ 735.00

Matrix Scientific
3'-Chloro-5'-(trifluoromethyl)acetophenone
5g
$ 185.00

Crysdot
1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone 95+%
25g
$ 370.00

Apolloscientific
3'-Chloro-5'-(trifluoromethyl)acetophenone
5g
$ 116.00

Apolloscientific
3'-Chloro-5'-(trifluoromethyl)acetophenone
25g
$ 449.00

Alichem
3'-Chloro-5'-(trifluoromethyl)acetophenone
1g
$ 1475.10

Total 17 raw suppliers

Chemical Property of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone

Chemical Property:

Refractive Index:1.4825
Boiling Point:216.4oC at 760 mmHg
Flash Point:84.7oC
PSA：17.07000
Density:1.337g/cm3
LogP:3.56140
Storage Temp.:2-8°C
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:222.0059270
Heavy Atom Count:14
Complexity:227

Purity/Quality:

97% ^*data from raw suppliers

1-[3-Chloro-5-(trifluoromethyl)phenyl]-ethanone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1=CC(=CC(=C1)Cl)C(F)(F)F
Uses 1-[3-Chloro-5-(trifluoromethyl)phenyl]-ethanone is a useful reactant and is used in the preparation of fluorinated aryl amide compounds for the treatment of central nervous system disorders.

Technology Process of 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone

There total 6 articles about 1-(3-Chloro-5-(trifluoromethyl)phenyl)ethanone 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: 99.0%

: 1076229-85-0
3-chloro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide

: 75-16-1
methylmagnesium bromide

: 886497-11-6
3'-chloro 5'-(trifluoromethyl)acetophenone

Guidance literature:: 3-chloro-N-methoxy-N-methyl-5-(trifluoromethyl)benzamide; methylmagnesium bromide; In tetrahydrofuran; at -30 - 20 ℃; for 2h;

With water; ammonium chloride;

Reference yield: 86.0%

: 886497-11-6
3'-chloro 5'-(trifluoromethyl)acetophenone

Guidance literature:

Reference yield:

: 328-80-3
3-nitro-5-trifluoromethyl-benzoic acid

: 886497-11-6
3'-chloro 5'-(trifluoromethyl)acetophenone

Guidance literature:: Multi-step reaction with 4 steps

1.1: hydrogen / palladium 10% on activated carbon / ethanol / 7 h / 20 °C / 760.05 Torr

2.1: tert.-butylnitrite; copper(l) chloride / acetonitrile / 0.5 h / 45 - 50 °C

2.2: 0.17 h / 10 °C

3.1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine / acetonitrile / 14 h / 20 °C

4.1: tetrahydrofuran / 2 h / -30 - 20 °C

With tert.-butylnitrite; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; copper(l) chloride; palladium 10% on activated carbon; In tetrahydrofuran; ethanol; acetonitrile;