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3,5-Bis(trifluoromethyl)phenyl isothiocyanate

ALDRICH/468517 - 98%

Synonym: 1-Isothiocyanato-3,5-bis(trifluoromethyl)benzene

CAS Number: 23165-29-9
Empirical Formula (Hill Notation): C9H3F6NS
Molecular Weight: 271.18
MDL Number: MFCD00040838
Linear Formula: (CF3)2C6H3NCS
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-468517-1G 1 g
 $42.20
1/EA		 Add To Favorites
45-468517-5G 5 g
 $112.00
1/EA		 Add To Favorites

 

assay 98%
bp 63 °C/1.5 mmHg (lit.)
density 1.485 g/mL at 25 °C (lit.)
functional group fluoro
  isothiocyanate
InChI 1S/C9H3F6NS/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
InChI key FXOSSGVJGGNASE-UHFFFAOYSA-N
Quality Level 100 
refractive index n20/D 1.5 (lit.)
SMILES string FC(F)(F)c1cc(cc(c1)C(F)(F)F)N=C=S
Application: 3,5-Bis(trifluoromethyl)phenyl isothiocyanate has been employed for the following studies:
• Chemical derivatization of amino-functionalized model surfaces, amino thiolate on Au, amino siloxane on Si, and polyethylene (PE) foils and films.
• Chemical derivatization of self assembled monolayers of ω-amino-4,4′-terphenyl substituted alkanethiols.
• Synthesis of ethylene-linked sulfonimidoyl-containing thioureas.
• Preparation of pyrrolidine-2-carboxylic acid-{2-[3-(3,5-bistrifluoromethylphenyl)thioureido]phenyl}-amide.
Packaging: 1, 5 g in glass bottle
Purity 98%
bp 63 °C/1.5 mmHg (lit.)
Density 1.485 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.5 (lit.)
UNSPSC 12352100

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