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4-Amino-2-(trifluoromethyl)benzonitrile

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4-Amino-2-(trifluoromethyl)benzonitrile Basic information

Product Name:
4-Amino-2-(trifluoromethyl)benzonitrile
Synonyms:
  • 5-AMINO-2-CYANOBENZOTRIFLUORIDE
  • BUTTPARK 22\01-63
  • 2-CYANO-5-AMINOBENZOTRIFLUORIDE
  • 4-CYANO-3-TRIFLUOROMETHYLANILINE
  • 4-AMINO-2-TRIFLUOROMETHYLBENZONITRILE
  • 5-AMINO-2-CYANO BENZOTRIFLUORID
  • 4-Amino-2-(trifluoromethyl)benzontrile
  • 4-Bromo-2-TrifluoromethylAniline/4-Bromo-2-(Trifluoromethyl)Aniline/2-Amino-5-Bromobenzotrifluoride
CAS:
654-70-6
MF:
C8H5F3N2
MW:
186.13
EINECS:
000-000-0
Product Categories:
  • Amines
  • Aromatics
  • Chemical intermediate for Bicalutamide
  • Aromatic Nitriles
  • Aromatic Halides (substituted)
  • Phenyls & Phenyl-Het
  • Phenyls & Phenyl-Het
  • Aniline
  • Bicalutamide
  • Chemical Amines
  • Benzonitriles (Building Blocks for Liquid Crystals)
  • Building Blocks for Liquid Crystals
  • Functional Materials
  • Benzotrifluoride Series
  • Trifluoromethylbenzene serise
  • Intermediates
  • Building Blocks
  • C8 to C9
  • Chemical Synthesis
  • Cyanides/Nitriles
  • Nitrogen Compounds
  • Organic Building Blocks
Mol File:
654-70-6.mol
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4-Amino-2-(trifluoromethyl)benzonitrile Chemical Properties

Melting point:
141-145 °C(lit.)
Boiling point:
294.5±40.0 °C(Predicted)
Density 
1.37±0.1 g/cm3(Predicted)
storage temp. 
Keep in dark place,Sealed in dry,Room Temperature
solubility 
DMSO (Sparingly), Methanol (Slightly)
form 
Powder
pka
0.50±0.10(Predicted)
color 
White to off-white
BRN 
3278074
InChI
InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
InChIKey
PMDYLCUKSLBUHO-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=C(N)C=C1C(F)(F)F
CAS DataBase Reference
654-70-6(CAS DataBase Reference)
NIST Chemistry Reference
5-Amino-2-cyanobenzotrifluoride(654-70-6)
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Safety Information

Hazard Codes 
Xn,T
Risk Statements 
22-43-36/37/38-20/21/22
Safety Statements 
36-45-37/39-26
RIDADR 
3439
WGK Germany 
3
Hazard Note 
Toxic
HazardClass 
6.1
PackingGroup 
III
HS Code 
29049090

MSDS

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4-Amino-2-(trifluoromethyl)benzonitrile Usage And Synthesis

Chemical Properties

Off-White Solid

Uses

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.

Uses

4-Amino-2-(trifluoromethyl)benzonitrile is used for the preparation of benzene derivatives as non-steroidal androgen receptor modulators.

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