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About This Item
Linear Formula:
CF3SC6H4CO2H
CAS Number:
Molecular Weight:
222.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
Recommended Products
Assay
97%
mp
71-74 °C (lit.)
functional group
carboxylic acid
fluoro
thioether
SMILES string
OC(=O)c1cccc(SC(F)(F)F)c1
InChI
1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI key
IVGAPIVNQABETQ-UHFFFAOYSA-N
General description
3-(Trifluoromethylthio)benzoic acid has trifluoromethylthio group. This group is useful for the preparation of new dyes, medicinal agents and novel heterocyclic systems.
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
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Trifluoromethylthiocopper. A reagent for the introduction of the trifluoromethylthio group into aromatic nuclei.
Remy DC, et al.
The Journal of Organic Chemistry, 41(9), 1644-1646 (1976)
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