| Identification | Back Directory | [Name]
2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID | [CAS]
142994-06-7 | [Synonyms]
Isoxaflutole Metabolite RPA 203328
Methylsulfonyl-4-trifluoromethylbenzoic Acid
2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID
Benzoic acid, 2-(methylsulfonyl)-4-(trifluoromethyl)- | [Molecular Formula]
C9H7F3O4S | [MDL Number]
MFCD09037774 | [MOL File]
142994-06-7.mol | [Molecular Weight]
268.21 |
| Chemical Properties | Back Directory | [Melting point ]
>98oC (dec.) | [Boiling point ]
416.6±45.0 °C(Predicted) | [density ]
1.513 | [storage temp. ]
Sealed in dry,2-8°C | [solubility ]
Chloroform (Slightly, Heated), DMSO (Slightly, Heated, Sonicated) | [form ]
Solid | [pka]
2.02±0.10(Predicted) | [color ]
Off-White to Light Beige | [Stability:]
Hygroscopic | [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) | [InChIKey]
OGYBDKOCZVSHQI-UHFFFAOYSA-N | [SMILES]
C(O)(=O)C1=CC=C(C(F)(F)F)C=C1S(C)(=O)=O | [EPA Substance Registry System]
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid (142994-06-7) |
| Hazard Information | Back Directory | [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. |
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