4-Chloro-3-(trifluoromethoxy)benzoic acid

Base Information

Chemical Name:4-Chloro-3-(trifluoromethoxy)benzoic acid
CAS No.:886500-50-1
Molecular Formula:C8H4ClF3O3
Molecular Weight:240.566
Hs Code.:2918990090
DSSTox Substance ID:DTXSID30590646
Wikidata:Q72460105
Mol file:886500-50-1.mol

Synonyms:4-Chloro-3-(trifluoromethoxy)benzoic acid;886500-50-1;4-Chloro-3-trifluoromethoxy-benzoic acid;Benzoic acid, 4-?chloro-?3-?(trifluoromethoxy)?-;4-Chloro-3-(trifluoromethoxy)benzoicacid;SCHEMBL4283750;DTXSID30590646;AMY22091;MFCD06660238;AKOS015956816;AS-18834;A20240

Suppliers and Price of 4-Chloro-3-(trifluoromethoxy)benzoic acid

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

SynQuest Laboratories
4-Chloro-3-(trifluoromethoxy)benzoic acid
10 g
$ 232.00

SynQuest Laboratories
4-Chloro-3-(trifluoromethoxy)benzoic acid
5 g
$ 128.00

SynQuest Laboratories
4-Chloro-3-(trifluoromethoxy)benzoic acid
1 g
$ 64.00

Matrix Scientific
4-Chloro-3-(trifluoromethoxy)benzoic acid 95+%
5g
$ 260.00

Matrix Scientific
4-Chloro-3-(trifluoromethoxy)benzoic acid 95+%
25g
$ 885.00

Matrix Scientific
4-Chloro-3-(trifluoromethoxy)benzoic acid 95+%
1g
$ 145.00

Crysdot
4-Chloro-3-(trifluoromethoxy)benzoicacid 98%
10g
$ 307.00

Chemenu
4-Chloro-3-(trifluoromethoxy)benzoicacid 95+%
10g
$ 290.00

Chemenu
4-Chloro-3-(trifluoromethoxy)benzoicacid 95+%
5g
$ 184.00

Biosynth Carbosynth
4-chloro-3-(trifluoromethoxy)benzoic Acid
10 g
$ 370.00

Total 35 raw suppliers

Chemical Property of 4-Chloro-3-(trifluoromethoxy)benzoic acid

Chemical Property:

Vapor Pressure:0.00229mmHg at 25°C
Melting Point:123-126℃
Boiling Point:276.6°C at 760 mmHg
PKA:3.59±0.10(Predicted)
Flash Point:121.1°C
PSA：46.53000
Density:1.558g/cm³
LogP:2.93680
Storage Temp.:Sealed in dry,Room Temperature
Water Solubility.:Sparingly Soluble in water.
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:239.9801062
Heavy Atom Count:15
Complexity:244

Purity/Quality:

98% ^*data from raw suppliers

4-Chloro-3-(trifluoromethoxy)benzoic acid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C(=O)O)OC(F)(F)F)Cl
Uses 4-Chloro-3-(trifluoromethoxy)benzoic acid is used as pharmaceuticals intermediates.

Technology Process of 4-Chloro-3-(trifluoromethoxy)benzoic acid

There total 3 articles about 4-Chloro-3-(trifluoromethoxy)benzoic acid 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: 74.0%

: 1261444-00-1
methyl 4-chloro-3-(trifluoromethoxy)benzoate

: 886500-50-1
4-chloro-3-(trifluoromethoxy)benzoic acid

Guidance literature:: With water; sodium hydroxide; In methanol; at 20 ℃; for 1.5h;

Reference yield:

: 457097-93-7
4-amino-3-trifluoromethoxybenzoic acid methyl ester

: 886500-50-1
4-chloro-3-(trifluoromethoxy)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: water; sodium nitrite; hydrogenchloride / acetonitrile / 0.67 h / 0 °C

1.2: 0.25 h / 0 °C / Inert atmosphere

2.1: sodium hydroxide; water / methanol / 1.5 h / 20 °C

With hydrogenchloride; water; sodium hydroxide; sodium nitrite; In methanol; acetonitrile;

Reference yield:

: 175278-09-8
4-bromo-2-(trifluoromethoxy)aniline

: 886500-50-1
4-chloro-3-(trifluoromethoxy)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

1.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; triethylamine / 36 h / 100 °C / 15201 Torr

2.1: water; sodium nitrite; hydrogenchloride / acetonitrile / 0.67 h / 0 °C

2.2: 0.25 h / 0 °C / Inert atmosphere

3.1: sodium hydroxide; water / methanol / 1.5 h / 20 °C

With hydrogenchloride; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; water; triethylamine; sodium hydroxide; sodium nitrite; In methanol; acetonitrile;