142994-06-7

Basic information

• Product Name: 2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID
• Synonyms: 2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID;Benzoic acid, 2-(methylsulfonyl)-4-(trifluoromethyl)-;Methylsulfonyl-4-trifluoromethylbenzoic Acid
• CAS NO: 142994-06-7
• Molecular Formula: C₉H₇F₃O₄S
• Molecular Weight: 268.2096896
• Mol File: 142994-06-7.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 416.6oC at 760 mmHg
• Flash Point: 205.7oC
• Appearance: /
• Density: 1.513
• Vapor Pressure: 1.1E-07mmHg at 25°C
• Refractive Index: 1.492
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly, Heated), DMSO (Slightly, Heated, Sonicated), Methanol (Sli
• PKA: 2.02±0.10(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: 2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID(142994-06-7)
• EPA Substance Registry System: 2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID(142994-06-7)

Safety Data

• Hazardous Substances Data: 142994-06-7(Hazardous Substances Data)

Usage

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.

InChI:InChI=1/C9H7F3O4S/c1-17(15,16)7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)

Upstream product

• 161462-33-5 1-cyano-2-methylthio-4-trifluoromethylbenzene 
• 1383827-77-7 2-methanesulfonyl-4-trifluoromethyl-benzonitrile 
• 142994-05-6 2-(methylsulphenyl)-4-trifluoromethylbenzoic acid 
• 143701-75-1 RPA 202248 
• 141112-29-0 isoxaflutole 

Downstream Products

• 1361133-28-9 2-(methylsulfonyl)-N-(1-methyl-1H-tetrazol-5-yl)-4-(trifluoromethyl)benzamide 
• 1461658-09-2 Sodium methoxide 
• 143701-81-9 2-(methylsulfonyl)-4-trifluoromethylbenzoyl chloride 
• 1374862-64-2 2-(methylsulfonyl)-4-(trifluoromethyl)-N-(4-((3-(trifluoromethyl)phenyl)sulfonyl)benzyl)benzamide 

Relevant articles and documents

Soil metabolism of isoxaflutole in corn

The herbicide isoxaflutole 1 (5-cyclopropyl-4- isoxazolyl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]- methanone) has been applied preemergence at the rate of 125 g ha-1 on corn crops grown on fields located in regions different as to their soil textures. Its metabolite diketonitrile 2(2-cyano-3-cyclopropyl-1- (2-methylsulfonyl-4-trifluoromethylphenyl)-propane-1,3-dione) - which is the herbicide's active compound - and its nonherbicide metabolite 3 (2-methylsulfonyl-4-trifluoromethylbenzoic acid) were measured in the 0-10 cm surface soil layer of the corn crops after the treatment and until the harvest. At the opposite of what occurred in plant shoots, the transformation of isoxaflutole 1 into diketonitrile 2 was not immediate in soil. In the 0-10 cm surface soil layer, this transformation occurred progressively according to an apparent second-order kinetics, and the soil half-lives of isoxaflutole 1 self were comprised between 9 and 18 days. The adsorption of isoxaflutole 1 onto the solid phase of the soil and its organic matter should explain the stabilization effect of soil, increased by the application of fresh organic fertilizer. The sum of the concentrations of isoxaflutole 1 and diketonitrile 2 disappeared in the 0-10 cm surface soil layer according to an apparent first-order kinetics, and the soil half-lives of this sum were comprised between 45 and 65 days. The sum of the concentrations of isoxaflutole 1 and of its metabolites diketonitrile 2 and acid 3 did not account for the amount of isoxaflutole 1 applied. The discrepancy increased with the delay after the application, showing that the acid 3 was further metabolized in soil into common nontoxic products, and ultimately into CO2. The conjunction of the adsorption of isoxaflutole and its metabolites (which reduced their mobilities) onto the soil and its organic matter, and their further metabolism should explain why isoxaflutole and its metabolites were not detected in the 10-15 and 15-20 cm surface soil layers during the crops.

Synthesis method of 2-methylsulfonyl-4-trifluoromethyl benzoic acid

The invention belongs to the field of preparation of pesticide intermediates, and particularly relates to a synthesis method of an intermediate 2-methylsulfonyl-4-trifluoromethyl benzoic acid for preparing important pesticides such as sulfonyl pyrazole an

Herbicidal 2-cyano-1,3-diones

Herbicides derived from 2-cyano-1,3-diones have the formula: STR1 wherein R, R1, R2 R3, R4 and R5 are as defined in the description. The compounds are intended for use pre- and post-emergence as selective herbicides in maize and a large number of other monocotyledon crops.