3-Fluoro-4-isothiocyanato-2-(trifluoromethyl)benzonitrile

95%

Reagent Code: #130834
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CAS Number 1311158-94-7

blur_circular Chemical Specifications

scatter_plot Molecular Information
Weight 246.18 g/mol
Formula C₉H₂F₄N₂S
badge Registry Numbers
MDL Number MFCD31652698
thermostat Physical Properties
Boiling Point 333.6±42.0 °C(Predicted)
inventory_2 Storage & Handling
Density 1.39±0.1 g/cm3(Predicted)
Storage 2-8°C, Sealed, Inert Gas

description Product Description

Used primarily as a key intermediate in the synthesis of agrochemicals and pharmaceuticals, particularly in the development of herbicides and fungicides. Its isothiocyanato group enables covalent bonding with biomolecules, making it valuable in bioconjugation for research and diagnostic applications. Also employed in the preparation of fluorinated organic compounds where the fluorine atoms enhance metabolic stability and lipophilicity. Its electron-withdrawing nitrile and trifluoromethyl groups contribute to improved reactivity and selectivity in cross-coupling reactions. Widely utilized in medicinal chemistry for structure-activity relationship studies due to its rigid aromatic scaffold and halogen substitution pattern.

shopping_cart Available Sizes & Pricing

Size Availability Unit Price Quantity
inventory 100mg
10-20 days ฿11,750.00
inventory 1g
10-20 days ฿53,860.00

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