ChemicalBook--->CAS DataBase List--->142994-06-7

142994-06-7

142994-06-7 Structure

142994-06-7 Structure
IdentificationBack 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 PropertiesBack 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)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[HS Code ]

2918999090
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYLSULFONYL-4-TRIFLUOROMETHYL BENZOIC ACID(142994-06-7)1HNMR
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