142994-06-7 | 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$18.00	$12.00
1g	95%	in stock	$32.00	$22.00
5g	95%	in stock	$44.00	$31.00

Description

• Catalog Number: AB47784
• Chemical Name: 2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
• CAS Number: 142994-06-7
• Molecular Formula: C9H7F3O4S
• Molecular Weight: 268.2097
• MDL Number: MFCD09037774
• SMILES: OC(=O)c1ccc(cc1S(=O)(=O)C)C(F)(F)F

Computed Properties

• Complexity: 395
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 1.6

Literature

• 2-Methyl-sulfonyl-4-(trifluoro-meth-yl)benzoic acid.

  Acta crystallographica. Section E, Structure reports online 20120601

• Degradation of RPA 202248 [U-14C-phenyl]alpha(-(cyclopropylcarbonyl)-2-(methylsulfonyl)-beta-oxo-4-(trifluromethyl)benzenepropanenitrile), the primary degradation product of isoxaflutole, in an outdoor aquatic microcosm system.

  Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes 20040101

• Fate of isoxaflutole in soil under controlled conditions.

  Journal of agricultural and food chemistry 20030101

• Soil metabolism of isoxaflutole in corn.

  Archives of environmental contamination and toxicology 20020401

• Fate of the herbicide isoxaflutole in the soil of corn fields.

  Mededelingen (Rijksuniversiteit te Gent. Fakulteit van de Landbouwkundige en Toegepaste Biologische Wetenschappen) 20010101