Methyl 4-chloro-2-(trifluoromethyl)benzoate

Base Information

Chemical Name:Methyl 4-chloro-2-(trifluoromethyl)benzoate
CAS No.:115591-65-6
Molecular Formula:C9H6ClF3O2
Molecular Weight:238.59100
Hs Code.:2916399090
DSSTox Substance ID:DTXSID701262553
Mol file:115591-65-6.mol

Synonyms:METHYL 4-CHLORO-2-(TRIFLUOROMETHYL)BENZOATE;115591-65-6;MFCD06204164;4-chloro-2-trifluoromethyl-benzoic acid methyl ester;SCHEMBL2798818;DTXSID701262553;AKOS027425304;BS-51091;SY316617;CS-0131330;E76709;METHYL4-CHLORO-2-(TRIFLUOROMETHYL)BENZOATE

Suppliers and Price of Methyl 4-chloro-2-(trifluoromethyl)benzoate

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
Methyl4-chloro-2-(trifluoromethyl)benzoate 97%
1g
$ 447.00

American Custom Chemicals Corporation
METHYL 4-CHLORO-2-(TRIFLUOROMETHYL)BENZOATE 95.00%
5MG
$ 496.67

Alichem
Methyl4-chloro-2-(trifluoromethyl)benzoate
1g
$ 1490.00

Alichem
Methyl4-chloro-2-(trifluoromethyl)benzoate
500mg
$ 839.45

Alichem
Methyl4-chloro-2-(trifluoromethyl)benzoate
250mg
$ 484.80

Total 3 raw suppliers

Chemical Property of Methyl 4-chloro-2-(trifluoromethyl)benzoate

Chemical Property:

Vapor Pressure:0.044mmHg at 25°C
Boiling Point:237.8oC at 760 mmHg
Flash Point:91.9oC
PSA：26.30000
LogP:3.14540
Storage Temp.:Sealed in dry,Room Temperature
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:238.0008416
Heavy Atom Count:15
Complexity:242

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-chloro-2-(trifluoromethyl)benzoate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=C(C=C(C=C1)Cl)C(F)(F)F

Technology Process of Methyl 4-chloro-2-(trifluoromethyl)benzoate

There total 4 articles about Methyl 4-chloro-2-(trifluoromethyl)benzoate 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:

: 1126-46-1
Methyl 4-chlorobenzoate

: 76-05-1
trifluoroacetic acid

: 115591-65-6
methyl 4-chloro-2-(trifluoromethyl)benzoate

: 115591-64-5
4-chloro-3-trifluoromethylbenzoic acid methyl ester

Guidance literature:: With xenon difluoride; In dichloromethane; for 2h; Yield given. Yields of byproduct given; Ambient temperature;
DOI:10.1021/jo00254a033

Reference yield:

: 623-03-0
4-Cyanochlorobenzene

: 115591-65-6
methyl 4-chloro-2-(trifluoromethyl)benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: silver carbonate; sodium carbonate; dipotassium peroxodisulfate; sulfuric acid / dichloromethane / 10 h / 120 °C / Schlenk technique; Sealed tube

2: sodium hydroxide; water / ethanol / 6 h / Reflux

3: diethyl ether

With dipotassium peroxodisulfate; sulfuric acid; water; sodium carbonate; silver carbonate; sodium hydroxide; In diethyl ether; ethanol; dichloromethane;
DOI:10.1021/ol503189j

Reference yield:

: 320-41-2
4-chloro-2-(trifluoromethyl)benzonitrile

: 115591-65-6
methyl 4-chloro-2-(trifluoromethyl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide; water / ethanol / 6 h / Reflux

2: diethyl ether

With water; sodium hydroxide; In diethyl ether; ethanol;
DOI:10.1021/ol503189j