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HomeProduct name list4-Amino-2-(trifluoromethyl)benzonitrile

4-Amino-2-(trifluoromethyl)benzonitrile

Synonym(s):4-Cyano-3-trifluoromethylaniline

  • CAS NO.:654-70-6
  • Empirical Formula: C8H5F3N2
  • Molecular Weight: 186.13
  • MDL number: MFCD00042155
  • EINECS: 000-000-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-24 19:19:26
4-Amino-2-(trifluoromethyl)benzonitrile Structural

What is 4-Amino-2-(trifluoromethyl)benzonitrile?

Chemical properties

Off-White Solid

The Uses of 4-Amino-2-(trifluoromethyl)benzonitrile

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

The Uses of 4-Amino-2-(trifluoromethyl)benzonitrile

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.

Properties of 4-Amino-2-(trifluoromethyl)benzonitrile

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
CAS DataBase Reference 654-70-6(CAS DataBase Reference)
NIST Chemistry Reference 5-Amino-2-cyanobenzotrifluoride(654-70-6)

Safety information for 4-Amino-2-(trifluoromethyl)benzonitrile

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H317:Sensitisation, Skin
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention.

Computed Descriptors for 4-Amino-2-(trifluoromethyl)benzonitrile

InChIKey PMDYLCUKSLBUHO-UHFFFAOYSA-N
SMILES C(#N)C1=CC=C(N)C=C1C(F)(F)F

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