470090
3-(Trifluoromethylthio)benzoic acid
97%
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About This Item
Linear Formula:
CF3SC6H4CO2H
CAS Number:
Molecular Weight:
222.18
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
97%
Product Name
3-(Trifluoromethylthio)benzoic acid, 97%
InChI
1S/C8H5F3O2S/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
SMILES string
OC(=O)c1cccc(SC(F)(F)F)c1
InChI key
IVGAPIVNQABETQ-UHFFFAOYSA-N
assay
97%
mp
71-74 °C (lit.)
functional group
carboxylic acid
fluoro
thioether
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.
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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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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