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About This Item
Linear Formula:
CF3SC6H4OH
CAS Number:
Molecular Weight:
194.17
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
98%
form
solid
bp
77-78 °C/7 mmHg (lit.)
mp
57-60 °C (lit.)
SMILES string
Oc1ccc(SC(F)(F)F)cc1
InChI
1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChI key
YYCPTWHVKSATQK-UHFFFAOYSA-N
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.
Application
4-(Trifluoromethylthio)phenol may be used in the preparation of phenylamino derivative, which is an important intermediate in the synthesis of toltrazuril.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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
Synthesis of Toltrazuril.
Chinese Journal of Pharmaceuticals / Chung-kuo i yao kung yeh tsa chih, 37(3), 145-145 (2006)
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