2-(Phenylthio)-5-(trifluoromethyl)benzoic acid
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2-(Phenylthio)-5-(trifluoromethyl)benzoic acid
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CAS No:
52548-96-6
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Formula:
C14H9F3O2S
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Chemical Name:
2-(Phenylthio)-5-(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,2-(phenylthio)-5-(trifluoromethyl)-;2-(Phenylthio)-5-(trifluoromethyl)benzoic acid;2-(Phenylsulfanyl)-5-(trifluoromethyl)benzoic acid;2-Phenylsulfanyl-5-trifluoromethyl-benzoic acid
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CAS No:
2-(Phenylthio)-5-(trifluoromethyl)benzoic acid Basic Attributes
298.2802696
298.28
257-998-8
2930909090
Safety Information
36/37/38
26-36
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:298.28
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:298.02753519
Monoisotopic Mass:298.02753519
Topological Polar Surface Area:62.6
Heavy Atom Count:20
Complexity:340
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(Phenylthio)-5-(trifluoromethyl)benzoic acid
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