CAS 142994-06-7

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

Description:

2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid, with the CAS number 142994-06-7, is a chemical compound characterized by its unique functional groups and structure. It features a benzoic acid backbone substituted with a methylsulfonyl group and a trifluoromethyl group, which contribute to its chemical reactivity and properties. The presence of the methylsulfonyl group enhances its solubility in polar solvents, while the trifluoromethyl group can impart significant lipophilicity and influence the compound's biological activity. This compound is typically a solid at room temperature and may exhibit moderate stability under standard conditions. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as a building block in organic synthesis. Additionally, the trifluoromethyl group is known for its ability to modulate the electronic properties of the molecule, which can affect its interaction with biological targets. Overall, 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid is notable for its distinctive chemical features that may be leveraged in various chemical and industrial applications.

Formula: C₉H₇F₃O₄S

InChI: InChI=1S/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)

InChI key: InChIKey=OGYBDKOCZVSHQI-UHFFFAOYSA-N

SMILES: S(C)(=O)(=O)C1=C(C(O)=O)C=CC(C(F)(F)F)=C1

Synonyms:

• 2-(Methylsulphonyl)-4-trifluoromethylbenzoic acid
• 2-Methylsulfonyl-4-trifluoromethylbenzoic acid
• Ae B197555
• Benzoic acid, 2-(methylsulfonyl)-4-(trifluoromethyl)-
• Rpa 203328
• 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
• 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid

2-Methylsulfonyl-4-(trifluoromethyl)benzoic acid

CAS: 142994-06-7

Formula: C₉H₇F₃O₄S

Purity: 97%

Color and Shape: Solid

Molecular weight: 268.2097

Ref: IN-DA00366O

2-Methylsulfonyl-4-(trifluoromethyl)benzoic acid

CAS: 142994-06-7

2-Methylsulfonyl-4-(trifluoromethyl)benzoic acid

Formula: C₉H₇F₃O₄S

Purity: 97%

Color and Shape: beige solid

Molecular weight: 268.21g/mol

Ref: 54-PC901174

Isoxaflutole-benzoic acid

CAS: 142994-06-7

Formula: C₉H₇F₃O₄S

Color and Shape: Neat

Molecular weight: 268.21

Ref: 04-C14481020

2-Methylsulfonyl-4-trifluoromethylbenzoic Acid

CAS: 142994-06-7

Applications 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.
References Beltran, E., et al.: J. Agr. Food Chem., 51, 146 (2003); Lin, C., et al.: J. Agr. Food Chem., 51, 8011 (2003); Pallett, K., et al.: Pest. Biochem. Phys., 62, 113 (1998)

Formula: C₉H₇F₃O₄S

Color and Shape: Neat

Molecular weight: 268.21

Ref: TR-M328135

2-Methylsulfonyl-4-trifluoromethylbenzoic acid

CAS: 142994-06-7

Formula: C₉H₇F₃O₄S

Purity: 95%

Color and Shape: Solid

Molecular weight: 268.21

Ref: 10-F075262

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

CAS: 142994-06-7

2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid (MTBA) is a synthetic chemical that is used as a reagent for the alkaline hydrolysis of sulfides. It is also used in analytical chemistry to monitor the presence of sulfide in environmental samples. MTBA has been shown to be metabolized by the body into benzonitrile, which is an active metabolite. MTBA has not been shown to have any effects on humans and it does not appear to be toxic at low doses.

Formula: C₉H₇O₄SF₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 268.21 g/mol

Ref: 3D-FM34037