4-[(Trifluoromethyl)thio]benzoic acid
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![4-[(Trifluoromethyl)thio]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b309f8392e0743a6872dce9b16b4f763.png "4-[(Trifluoromethyl)thio]benzoic acid")
4-[(Trifluoromethyl)thio]benzoic acid
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CAS No:
330-17-6
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Formula:
C8H5F3O2S
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Chemical Name:
4-[(Trifluoromethyl)thio]benzoic acid
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Synonyms:
Benzoic acid,4-[(trifluoromethyl)thio]-;Benzoic acid,p-[(trifluoromethyl)thio]-;4-[(Trifluoromethyl)thio]benzoic acid;4-Trifluoromethylsulfanylbenzoic acid
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CAS No:
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:222.19
XLogP3:3.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:221.99623506
Monoisotopic Mass:221.99623506
Topological Polar Surface Area:62.6
Heavy Atom Count:14
Complexity:209
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[(Trifluoromethyl)thio]benzoic acid
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