2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
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2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
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CAS No:
142994-06-7
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Formula:
C9H7F3O4S
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Chemical Name:
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,2-(methylsulfonyl)-4-(trifluoromethyl)-;2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid;2-Methylsulfonyl-4-trifluoromethylbenzoic acid;RPA 203328;AE B197555;2-(Methylsulphonyl)-4-trifluoromethylbenzoic acid
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CAS No:
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid Basic Attributes
268.21000
268.21
5W8IAI1FON
2916399090
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|Aggregated GHS information provided by 158 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-(Methylsulfonyl)-4-(trifluoromethyl)benzoic acid Use and Manufacturing
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Benzoic acid (RPA 203328) is a known environmental transformation product of Isoxaflutole.
Computed Properties
Molecular Weight:268.21
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:268.00171436
Monoisotopic Mass:268.00171436
Topological Polar Surface Area:79.8
Heavy Atom Count:17
Complexity:395
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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