2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid

Base Information Edit

Chemical Name:2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
CAS No.:142994-06-7
Molecular Formula:C9H7 F3 O4 S
Molecular Weight:268.213
Hs Code.:2916399090
UNII:5W8IAI1FON
DSSTox Substance ID:DTXSID30869925
Nikkaji Number:J1.429.467H
Wikidata:Q27262953
Mol file:142994-06-7.mol

Synonyms:142994-06-7;2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid;2-methylsulfonyl-4-(trifluoromethyl)benzoic acid;2-METHYLSULFONYL-4-TRIFLUOROMETHYLBENZOIC ACID;2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID;Benzoic acid, 2-(methylsulfonyl)-4-(trifluoromethyl)-;Isoxaflutole-benzoic acid;MFCD09037774;5W8IAI1FON;2-methanesulfonyl-4-(trifluoromethyl)benzoic acid;rpa 203328 (a metabolite of isoxaflutole);UNII-5W8IAI1FON;RPA-203328;2-(Methylsulfonyl)-4-(trifluoromethyl)benzoicacid;SCHEMBL2228176;Benzoic acid (RPA 203328);DTXSID30869925;BCP15397;AKOS015891577;CS-W003578;GS-4461;RPA 203328;AC-27552;SY030565;DB-063453;AM20020483;NS00067520;EN300-7386454;A807996;2-(Methylsulfonyl)-4-(trifluoromethyl)-benzoic acid;J-506474;Q27262953;Z1410959627;2-Methylsulfonyl-4-trifluoromethylbenzoic acid;AE B197555

Suppliers and Price of 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid

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
2-Methylsulfonyl-4-trifluoromethylbenzoicAcid
100mg
$ 275.00

Medical Isotopes, Inc.
2-Methylsulfonyl-4-trifluoromethylbenzoicAcid
25 g
$ 940.00

Matrix Scientific
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid 95+%
5g
$ 350.00

Matrix Scientific
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid 95+%
1g
$ 110.00

Crysdot
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoicacid 95+%
1g
$ 109.00

Crysdot
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoicacid 95+%
5g
$ 347.00

Chemenu
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoicacid 95%
5g
$ 327.00

Apolloscientific
2-Methylsulfonyl-4-(trifluoromethyl)benzoicacid 97%
5g
$ 190.00

Apolloscientific
2-Methylsulfonyl-4-(trifluoromethyl)benzoicacid 97%
1g
$ 68.00

American Custom Chemicals Corporation
2-(METHYLSULFONYL)-4-(TRIFLUOROMETHYL)BENZOIC ACID 95.00%
1G
$ 1034.88

Total 51 raw suppliers

Chemical Property of 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid Edit

Chemical Property:

Vapor Pressure:1.1E-07mmHg at 25°C
Boiling Point:416.6oC at 760 mmHg
PKA:2.02±0.10(Predicted)
Flash Point:205.7oC
PSA：79.82000
Density:1.513
LogP:2.88790
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly, Heated), DMSO (Slightly, Heated, Sonicated), Methanol (Sli
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:268.00171436
Heavy Atom Count:17
Complexity:395

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylsulfonyl-4-trifluoromethylbenzoicAcid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)O
Uses 2-Methylsulfonyl-4-trifluoromethylbenzoic acid is a Benzoic acid (B203900) derivative and is also a metabolite of Isoxaflutole (I918140), a herbicide used for the control of broadleaf and grass weeds in corn and sugarcane crops.

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

There total 6 articles about 2-(Methylsulfonyl)-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: 95.39%