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631752 Sigma-Aldrich

4-Amino-2-(trifluoromethyl)benzonitrile

97%

Synonym: 4-Cyano-3-trifluoromethylaniline

  • CAS Number 654-70-6

  • Linear Formula NCC6H3(CF3)NH2

  • Molecular Weight 186.13

  •  MDL number MFCD00042155

  •  PubChem Substance ID 24882442

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C8 to C9, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds - Organic Building Blocks,
Quality Level   100
assay   97%
mp   141-145 °C (lit.)
SMILES string   Nc1ccc(C#N)c(c1)C(F)(F)F
InChI   1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
InChI key   PMDYLCUKSLBUHO-UHFFFAOYSA-N

Description

Application

4-Amino-2-(trifluoromethyl)benzonitrile can serve as starting material in the synthesis of benzimidazoles, which can act as potential candidates in the treatment of breast cancer due to their ability to inhibit the growth of endothelial cells.

Packaging

1, 5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
GHS07  GHS07
Signal word 
Warning
Hazard statements 
Precautionary statements 
Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

Documents

Certificate of Analysis (COA)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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