470082
4-(Trifluoromethylthio)phenol
98%
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About This Item
Linear Formula:
CF3SC6H4OH
CAS Number:
Molecular Weight:
194.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
4-(Trifluoromethylthio)phenol, 98%
InChI
1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
SMILES string
Oc1ccc(SC(F)(F)F)cc1
InChI key
YYCPTWHVKSATQK-UHFFFAOYSA-N
assay
98%
form
solid
bp
77-78 °C/7 mmHg (lit.)
mp
57-60 °C (lit.)
functional group
fluoro
thioether
Application
4-(Trifluoromethylthio)phenol may be used in the preparation of phenylamino derivative, which is an important intermediate in the synthesis of toltrazuril.
General description
4-(Trifluoromethylthio)phenol undergoes reaction with NBS (N-Bromosuccinimide), NIS (N-Iodosuccinimide), HNO3, HNO3/H2SO4 and 4-bromobenzyl bromide to afford bromo-, iodo-, nitro- and benzyl substituted products.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Synthesis of Toltrazuril.
Chinese Journal of Pharmaceuticals / Chung-kuo i yao kung yeh tsa chih, 37(3), 145-145 (2006)
Study on the synthesis of toltrazuril.
Jiang Z-L, et al.
Chemical Reagents, 28(9), 518-518 (2006)
Marjan Jereb et al.
Organic & biomolecular chemistry, 13(10), 3103-3115 (2015-01-30)
The electrophilic aromatic ring trifluoromethylthiolation of various substituted phenols was accomplished using PhNHSCF3 (N-trifluoromethylsulfanyl)aniline, (1) in the presence of BF3·Et2O (2) or triflic acid as the promoter. The functionalization was exclusively para-selective; phenols unsubstituted in both the ortho- and para
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