2-Iodo-4-(trifluoromethyl)benzoic acid

Base Information

Chemical Name:2-Iodo-4-(trifluoromethyl)benzoic acid
CAS No.:54507-44-7
Molecular Formula:C8H4F3IO2
Molecular Weight:316.018
Hs Code.:2916399090
European Community (EC) Number:642-809-7
DSSTox Substance ID:DTXSID90585639
Wikidata:Q72484711
Mol file:54507-44-7.mol

Synonyms:2-iodo-4-(trifluoromethyl)benzoic acid;54507-44-7;2-Iodo-4-trifluoromethylbenzoic acid;2-Iodo-4-trifluoromethyl-benzoic acid;Benzoic acid, 2-iodo-4-(trifluoromethyl)-;2-iodo-4-trifluoromethylbenzoicacid;SCHEMBL426615;DTXSID90585639;CL8049;MFCD06408817;2-iodo-4-(trifluoromethyl)benzoicacid;AKOS015919724;AM83994;CS-W012033;DS-14747;A7916;EN300-367447;Z1269166806;4-Carboxy-3-iodobenzotrifluoride, 2-Iodo-alpha,alpha,alpha-trifluoro-p-toluic acid

Suppliers and Price of 2-Iodo-4-(trifluoromethyl)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
2-Iodo-4-(trifluoromethyl)benzoic acid?
25 g
$ 823.00

SynQuest Laboratories
2-Iodo-4-(trifluoromethyl)benzoic acid?
1 g
$ 45.00

SynQuest Laboratories
2-Iodo-4-(trifluoromethyl)benzoic acid?
5 g
$ 200.00

Crysdot
2-Iodo-4-(trifluoromethyl)benzoicacid 98%
25g
$ 659.00

Crysdot
2-Iodo-4-(trifluoromethyl)benzoicacid 98%
10g
$ 320.00

Chemenu
2-Iodo-4-(trifluoromethyl)benzoicacid 95+%
5g
$ 179.00

Chemenu
2-Iodo-4-(trifluoromethyl)benzoicacid 95+%
10g
$ 309.00

Chemcia Scientific
2-Iodo-4-trifluoromethyl-benzoicacid 95%
10 G
$ 325.00

Chemcia Scientific
2-Iodo-4-trifluoromethyl-benzoicacid 95%
25 G
$ 650.00

Chemcia Scientific
2-Iodo-4-trifluoromethyl-benzoicacid 95%
5 G
$ 175.00

Total 43 raw suppliers

Chemical Property of 2-Iodo-4-(trifluoromethyl)benzoic acid

Chemical Property:

Vapor Pressure:0.000486mmHg at 25°C
Refractive Index:1.561
Boiling Point:300.8 °C at 760 mmHg
PKA:2.35±0.10(Predicted)
Flash Point:135.7 °C
PSA：37.30000
Density:2.005 g/cm³
LogP:3.00820
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
Sensitive.:Light Sensitive
Solubility.:Slightly soluble.
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:315.92081
Heavy Atom Count:14
Complexity:229

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-4-(trifluoromethyl)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(F)(F)F)I)C(=O)O
Uses The 10-chloro-8-fluoro-10, 11-dihydro-2-trifluoromethyldibenzothiepin used as the starting material can be prepared starting from 2-iodo--4-trifluoromethyl-benzoic acid and 4-fluoro-thiophenol.

Technology Process of 2-Iodo-4-(trifluoromethyl)benzoic acid

There total 2 articles about 2-Iodo-4-(trifluoromethyl)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: 96.0%

: 402-13-1
2-amino-4-trifluoromethylbenzoic acid

: 54507-44-7
2-iodo-4-(trifluoromethyl)benzoic acid

Guidance literature:: 2-amino-4-trifluoromethylbenzoic acid; With hydrogenchloride; In water; at 0 ℃; for 0.25h;

With sodium nitrite; In water; at 0 ℃; for 1.58333h;

With potassium iodide; In water; at 0 - 25 ℃; for 21.1667h;
DOI:10.1021/acs.orglett.0c02593

Reference yield: 78.0%

: 455-24-3
4-trifluoromethylbenzoic acid

: 54507-44-7
2-iodo-4-(trifluoromethyl)benzoic acid

Guidance literature:: With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; iodine; silver(I) acetate; triethylamine; at 23 ℃; for 18h; regioselective reaction; Sealed tube;
DOI:10.1002/chem.202002204

Reference yield: 81.0%

: 1174638-52-8
N-benzyl-4-methyl-N-(prop-1-yn-1-yl)benzenesulfonamide

: 54507-44-7
2-iodo-4-(trifluoromethyl)benzoic acid

: C₂₅H₂₀F₃NO₄S

Guidance literature:: With potassium phosphate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; In 1,4-dioxane; at 100 ℃; for 21h; Inert atmosphere; Sealed tube;
DOI:10.1039/c6cc01565d