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472220 Sigma-Aldrich

4-Fluoro-3-(trifluoromethyl)phenyl isocyanate

97%

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Properties

Related Categories Building Blocks, Chemical Synthesis, Fluorinated Building Blocks, Isocyanates, Nitrogen Compounds - Organic Building Blocks,
Quality Level   100
assay   97%
refractive index   n20/D 1.461 (lit.)
bp   48 °C/1 mmHg (lit.)
density   1.44 g/mL at 25 °C (lit.)
SMILES string   Fc1ccc(cc1C(F)(F)F)N=C=O
InChI   1S/C8H3F4NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
InChI key   OPPYFFRLKJUEOS-UHFFFAOYSA-N

Description

Application

4-Fluoro-3-(trifluoromethyl)phenyl isocyanate may be used in the synthesis of the following:
• pyrazine and pyrimidine analogs of biarylamines
• N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N′-[4- fluoro-3-(trifluoromethyl)phenyl]-N-[2-(3(R)-hydroxy-1-pyrrolidinyl]ethyl]urea
• N-[trans-5-(3-cyanophenyl)bicyclo[3.1.0]hex-2-yl]-N′-[4- fluoro-3-(trifluoromethyl)phenyl]-N-[2-(4-methyl-1-piperazinyl)- ethyl]urea

Packaging

2 g in glass bottle

500 mg in amber glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Target organs 
Respiratory system
RIDADR 
UN 2922 6.1(8) / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
176.0 °F - closed cup
Flash Point(C) 
80 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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