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559490

Sigma-Aldrich

3,4,5-Trifluoroaniline

98%

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Linear Formula:
F3C6H2NH2
CAS Number:
Molecular Weight:
147.10
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

solid

mp

61-64 °C (lit.)

SMILES string

Nc1cc(F)c(F)c(F)c1

InChI

1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

InChI key

SZRDJHHKIJHJHQ-UHFFFAOYSA-N

General description

3,4,5-Trifluoroaniline can be prepared from pentafluoroacetanilide, via catalytic hydrodefluorination.

Application

3,4,5-Trifluoroaniline may be used to synthesize:
  • (E)-1-(2-nitrophenyl)-2-(3,4,5-trifluorophenyl)diazene
  • 2,5-dibromo-3,4,5-trifluoroaniline
  • 3,4,5-trifluoro-2,6-dibromoaniline
  • 3,4,5-trifluoro-2,6-diiodoaniline
  • (E)-1,2-bis(3,4,5-trifluorophenyl)diazene

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Wettach H, et al.
Macromolecules, 41(24), 9513-9515 (2008)
Polyfluorinated versus cationic multidentate halogen-bond donors: A direct comparison.
Walter SM, et al.
Journal of Fluorine Chemistry, 150, 14-20 (2013)
The ionic liquid [bmim] Br as an alternative medium for the catalytic cleavage of aromatic C-F and C-Cl bonds.
Prikhod'ko SA, et al.
Tetrahedron Letters, 51(17), 2265-2268 (2010)

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